2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid

C22H18O6 — CID 70452171

IUPAC2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid
SMILESO=C(O)c1cccc(O)c1Cc1ccc(Cc2c(O)cccc2C(=O)O)cc1
InChIInChI=1S/C22H18O6/c23-19-5-1-3-15(21(25)26)17(19)11-13-7-9-14(10-8-13)12-18-16(22(27)28)4-2-6-20(18)24/h1-10,23-24H,11-12H2,(H,25,26)(H,27,28)
InChIKeySUDJDFJUIDNSKA-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.68
Rot. Bonds6

About 2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid

2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid (PubChem CID 70452171) has the molecular formula C22H18O6 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid
PubChem CID70452171
Molecular FormulaC22H18O6
Molecular Weight378.38 g/mol
Exact Mass378.11
IUPAC Name2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid
SMILESO=C(O)c1cccc(O)c1Cc1ccc(Cc2c(O)cccc2C(=O)O)cc1
InChIInChI=1S/C22H18O6/c23-19-5-1-3-15(21(25)26)17(19)11-13-7-9-14(10-8-13)12-18-16(22(27)28)4-2-6-20(18)24/h1-10,23-24H,11-12H2,(H,25,26)(H,27,28)
InChIKeySUDJDFJUIDNSKA-UHFFFAOYSA-N
XLogP3.68
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-3,4-dihydroxybenzoic acid
CID 22593474
3-acetamido-2-benzyl-4-hydroxybenzoic acid
CID 146409348
3-hydroxy-2-(2-hydroxypropyl)benzoic acid
CID 174903948
3-benzylbenzene-1,2,4-tricarboxylic acid
CID 175791914
2-acetamido-3-benzyl-4-hydroxybenzoic acid
CID 146409350
2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid
CID 19913521
2-[[4-(aminomethyl)phenyl]methyl]benzoic acid
CID 19794414
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
benzene-1,2-diol;phthalic acid
CID 160861167
3-cyclopropyl-2-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]benzoic acid
CID 67429420
2-hydroxybenzoic acid;hydrobromide
CID 70122828
2-hydroxybenzoic acid;silver
CID 87326670

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid?
The IUPAC name of 2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid (CID 70452171) is 2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid.
What is the SMILES notation for 2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid?
The canonical SMILES for 2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid is O=C(O)c1cccc(O)c1Cc1ccc(Cc2c(O)cccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid?
The InChIKey is SUDJDFJUIDNSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O6/c23-19-5-1-3-15(21(25)26)17(19)11-13-7-9-14(10-8-13)12-18-16(22(27)28)4-2-6-20(18)24/h1-10,23-24H,11-12H2,(H,25,26)(H,27,28).
What are the key properties of 2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid?
2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid has a molecular weight of 378.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid is sourced from PubChem (CID 70452171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).