2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid

C15H14O3S — CID 170908709

IUPAC2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid
SMILESO=C(O)c1ccccc1Sc1ccccc1CCO
InChIInChI=1S/C15H14O3S/c16-10-9-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)15(17)18/h1-8,16H,9-10H2,(H,17,18)
InChIKeyQFRPCPQAOKCCCW-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.07
Rot. Bonds5

About 2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid

2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid (PubChem CID 170908709) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid
PubChem CID170908709
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid
SMILESO=C(O)c1ccccc1Sc1ccccc1CCO
InChIInChI=1S/C15H14O3S/c16-10-9-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)15(17)18/h1-8,16H,9-10H2,(H,17,18)
InChIKeyQFRPCPQAOKCCCW-UHFFFAOYSA-N
XLogP3.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-hydroxyethyl)phenyl]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

2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid
CID 2824958
4,6-bis(2-hydroxyethyl)benzene-1,3-dicarboxylic acid
CID 139624390
2-[2-(2-hydroxyethyl)anilino]benzoic acid
CID 10956213
[2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone
CID 174908112
2-[[4-[(2-carboxyphenyl)sulfanylmethyl]phenyl]methylsulfanyl]benzoic acid
CID 4101619
3-(2-phenylsulfanylphenyl)propanoic acid
CID 12551986
2-[(2-fluorophenyl)methylsulfanyl]benzoic acid
CID 2462926
2-(1-oxidopyridin-1-ium-4-yl)sulfanylbenzoic acid
CID 139086654
methanediol;phthalic acid
CID 70525231
2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid
CID 19913521
2-[2-(phosphanyldisulfanyl)phenyl]ethanol
CID 144842888
2-[2-(difluoromethylsulfanyl)phenyl]ethanol
CID 117292567

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid?
The IUPAC name of 2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid (CID 170908709) is 2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid?
The canonical SMILES for 2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid is O=C(O)c1ccccc1Sc1ccccc1CCO.
What is the InChIKey of 2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid?
The InChIKey is QFRPCPQAOKCCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c16-10-9-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)15(17)18/h1-8,16H,9-10H2,(H,17,18).
What are the key properties of 2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid?
2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid has a molecular weight of 274.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid is sourced from PubChem (CID 170908709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).