WHC is still in active development. Read this to understand our approach.
depiction of MWOOGOJBHIARFG-UHFFFAOYSA-N.svg
isomerdesign

4-HO-3-MBAL

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pubchem

Vanillin

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drugmap

T83193

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Data

InChI: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3

Synonyms: s3071,Tox21_113534,4-hydroxy-3-(methoxy)benzaldehyde,VANILLIN [EP MONOGRAPH],Vanillin Melting Point Standard,DB-003805,4-Hydroxy-m-anisaldehyde,3-Methoxy-4-hydroxybenzaldehyde,VANILLIN [FCC],methyl-Protocatechualdehyde,Tox21_300352,EN300-18281,Tox21_201925,H-0264,bmse000597,Vanillin, natural, >=97%, FCC, FG,C00755,Rhovanil,NSC 15351, 4-Hydroxy-3-methoxy-benzaldehyde,Vanillin [USAN],Vanillin, tested according to Ph.Eur., Vanillaldehyde,VANILLIN, NATURAL [FHFI],Z57772449,p-Hydroxy-m-methoxybenzaldehyde,VANILLIN [HSDB],4-hydroxy-3-methoxy-benzyldehyde,Methylprotcatechuic aldehyde,A19444,1-(AMINOMETHYL)-CYCLOPROPANECARBOXYLICACIDETHYLESTER, Methylprotocatechuic aldehyde,AM20060497,FEMA 3107,4-Hydroxy-3-methoxybenzaldehyde(Vanilline),Vanillin 1000 microg/mL in Acetonitrile, 4-Hydroxy-5-methoxybenzaldehyde,FT-0618639,CHEBI:18346,BRN 0472792, 121-33-5,Oleoresin vanilla,Vanillin, JIS special grade, >=98.0%,DSSTox_RID_76433,VANILLIN [INCI],Vanillin [NF],NSC15351, 4-Hydroxy-3-methoxybenzaldehyde,NCGC00091645-04,BIDD:ER0330,CHI530446X, 2-Methoxy-4-formylphenol,H0264,VANILLIN [MI],Vanillin, European Pharmacopoeia (EP) Reference Standard,AKOS000118929,BDBM50177405,Q-100102,MLS002303069,FT-0669738,SCHEMBL1213,4-hydroxy-3-methoxy-Benzaldehyde-5-chlorovanillin,NCGC00254468-01, Benzaldehyde, 4-hydroxy-3-methoxy-,CS-W020052,V0080,vaniline, 4-Formyl-2-methoxyphenol,4-HO-3-MBAL,NSC 15351;NSC-15351; NSC15351 pound>>4-Hydroxy-3-methoxybenzaldehyde,Vanillaldehyde, Protocatechualdehyde, methyl-,Protocatechualdehyde, methyl-,MFCD00006942,CAS-121-33-5,Vanillin, United States Pharmacopeia (USP) Reference Standard,D00091,Vanillic aldehyde,Vanilla oleoresin (vanilla SPP),NCGC00091645-02,CHEMBL13883,AC-10370, p-Hydroxy-m-methoxybenzaldehyde,VANILLIN [MART.], Lioxin,4-HYDROXY,3-METHOXY-BENZALDEHYDE,bmse000343,Vanilla,UNII-CHI530446X,V55,GTPL6412,Vanillininclusioncomplex, Vanillic aldehyde, Vanilin, Vanillin [USAN],NCI60_001085,oleo-Resins vanilla,NCGC00259474-01,Vanillin-[methoxy-13C],HMS3651D20,NSC-15351,4-08-00-01763 (Beilstein Handbook Reference),SW219190-1,Mettler-Toledo Calibration substance ME 51143093, Vanillin, traceable to primary standards (LGC),HY-N0098,VANILLIN [FHFI],NCGC00091645-01, Vanilline,4-hydoxy-3-(methyloxy)benzaldehyde,Vanillin, ReagentPlus(R), 99%, Vanilla,DSSTox_CID_1969,Q33495, p-Vanillin,ZINC2567933,BBL011956,NSC48383,Vanillin inclusion complex,Vanillin, natural,Vanillin melting point standard, Pharmaceutical Secondary Standard; Certified Reference Material,NCGC00091645-03,Zimco,Mettler-Toledo Calibration substance ME 51143093, Vanillin,4-hydoxy-3-(methyloxy)benz aldehyde,FT-0675778,Vanillin, Pharmaceutical Secondary Standard; Certified Reference Material,Vanillin sodium salt,m-Anisaldehyde, 4-hydroxy-,oleo-Resins vanilla-bean, Zimco,SY224451,3-Methoxy-4-hydroxybenzaldehyde (vanillin),Vanilline,HSDB 1027,Vanillin, >=97%, FCC, FG,Vanillin, Vetec(TM) reagent grade, 98%,bmse010006,AC-907/21098004,NCGC00091645-05,Methylprotocatechuic aldehyde, Vanillin (natural),Vanillin (NF),4-hydroxy-3-methoxy benzaldehyde,VANILLIN [USP-RS],Protocatechualdehyde 3-methyl ether,3-methoxy-4-hydroxy-benzaldehyde,DTXSID0021969,p-Vanillin,EINECS 204-465-2,HMS3885K07,Vanillin (natural),Vanillin (83 degrees C) Melting Point Standard, 3-Methoxy-4-hydroxybenzaldehyde,4-Hydroxy-3-methoxybenzaldehyde,3-methoxy-4-hydroxy benzaldehyde, m-Anisaldehyde, 4-hydroxy-,4-Formyl-2-methoxyphenol,CCG-266230,Vanillin, puriss., 99.5%,FEMA No. 3107,VANILLIN [VANDF],121-33-5,3-methoxy-4-hydroxy benzoaldehyde,4-hydroxy-3-methoxybenzaldehyde (vanillin), 4-Hydroxy-m-anisaldehyde,4-hydroxy 3-methoxybenzaldehyde,2-Methoxy-4-formylphenol,4-Hydroxy-5-methoxybenzaldehyde,NSC-403658,VANILLIN [WHO-DD],Tox21_113534_1,STR01001,VANILLIN [II],STK199262,CCRIS 2687,AI3-00093,4-hydroxy-3-methoxybenzaldehyde (ACD/Name 4.0),NPLC-0145,Vanillin Melting Point Standard, United States Pharmacopeia (USP) Reference Standard,Vanilin,Nat.Vanillin,BP-10602,DSSTox_GSID_21969,m-Methoxy-p-hydroxybenzaldehyde,Vanillin,to_000089,NSC-48383,Lioxin,Vanilla oleoresin,Vanillin, TraceCERT(R), certified reference material,F2190-0587,vanillin (3-methoxy-4-hydroxy- benzaldehyde),EC 204-465-2,SMR000156285, Vanillin (NF),WLN: VHR DQ CO1,Benzaldehyde, 4-hydroxy-3-methoxy-,SGCUT00016,METHYL PROTOCATECHUIC ALDEHYDE,NSC403658,NCGC00091645-07,vanillin,MFCD08702848,4-Hydroxy-3-methoxy-benzaldehyde,BCP29943

Estimated data

Solubility: -1.618 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 61.9% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.