2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid

C15H14O4S — CID 2824958

IUPAC2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid
SMILESCOc1ccc(Sc2ccccc2C(=O)O)c(CO)c1
InChIInChI=1S/C15H14O4S/c1-19-11-6-7-13(10(8-11)9-16)20-14-5-3-2-4-12(14)15(17)18/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyUYDKZAIERWIOIK-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.04
Rot. Bonds5

About 2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid

2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid (PubChem CID 2824958) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid
PubChem CID2824958
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid
SMILESCOc1ccc(Sc2ccccc2C(=O)O)c(CO)c1
InChIInChI=1S/C15H14O4S/c1-19-11-6-7-13(10(8-11)9-16)20-14-5-3-2-4-12(14)15(17)18/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyUYDKZAIERWIOIK-UHFFFAOYSA-N
XLogP3.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic 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

4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid
CID 81309619
2-(2-bromophenyl)sulfanyl-4-methoxybenzoic acid
CID 81308598
2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid
CID 170908709
2-[(3-methoxyphenyl)sulfanylmethyl]benzoic acid
CID 13154004
3-(hydroxymethyl)-5-methoxy-2-methylbenzoic acid
CID 141349379
4-methoxy-2-pyren-1-ylsulfanylbenzoic acid
CID 134864733
2-(3-fluorophenyl)sulfanyl-4-methoxybenzoic acid
CID 81309333
(Z)-but-2-enedioic acid;1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 20841313
(Z)-but-2-enedioic acid;1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N-methylmethanamine
CID 20841316
2-(3-hydroxy-2-methylpropyl)sulfanyl-4-methoxybenzoic acid
CID 81309040
N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 25044228
2-(2-aminoethyl)-4-methoxybenzoic acid
CID 83853053

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid?
The IUPAC name of 2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid (CID 2824958) is 2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid is COc1ccc(Sc2ccccc2C(=O)O)c(CO)c1.
What is the InChIKey of 2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid?
The InChIKey is UYDKZAIERWIOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-19-11-6-7-13(10(8-11)9-16)20-14-5-3-2-4-12(14)15(17)18/h2-8,16H,9H2,1H3,(H,17,18).
What are the key properties of 2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid?
2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid has a molecular weight of 290.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid is sourced from PubChem (CID 2824958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).