2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid

C14H11ClO3S — CID 13066690

IUPAC2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid
SMILESO=C(O)Cc1cccc(Sc2ccccc2Cl)c1O
InChIInChI=1S/C14H11ClO3S/c15-10-5-1-2-6-11(10)19-12-7-3-4-9(14(12)18)8-13(16)17/h1-7,18H,8H2,(H,16,17)
InChIKeyXNKPDUZBDBWBOV-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.82
Rot. Bonds4

About 2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid

2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid (PubChem CID 13066690) has the molecular formula C14H11ClO3S and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid
PubChem CID13066690
Molecular FormulaC14H11ClO3S
Molecular Weight294.76 g/mol
Exact Mass294.01
IUPAC Name2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid
SMILESO=C(O)Cc1cccc(Sc2ccccc2Cl)c1O
InChIInChI=1S/C14H11ClO3S/c15-10-5-1-2-6-11(10)19-12-7-3-4-9(14(12)18)8-13(16)17/h1-7,18H,8H2,(H,16,17)
InChIKeyXNKPDUZBDBWBOV-UHFFFAOYSA-N
XLogP3.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic 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-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid
CID 12742097
sodium 2-[2-amino-3-(2-chlorophenyl)sulfanylphenyl]acetate
CID 23706985
2-(2-chlorophenyl)sulfanylphenol
CID 20513469
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid
CID 10706368
2-(2-chlorophenyl)sulfanyl-6-prop-1-enylphenol
CID 54072915
3-[[2-(2-chlorophenyl)sulfanylphenyl]methylamino]-2-hydroxybenzoic acid;3-[[2-(3-chlorophenyl)sulfanylphenyl]methylamino]-2-hydroxybenzoic acid
CID 160727249
2-(2-chlorophenyl)acetic acid;sulfuric acid
CID 158269272
3-(3-chloro-2-hydroxyphenyl)propanoic acid
CID 54416196
2-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)acetic acid
CID 12557642
2-(2-propan-2-ylsulfanylphenyl)acetic acid
CID 12533893
3-(2-chlorophenyl)sulfanylbenzoic acid
CID 15727816

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid?
The IUPAC name of 2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid (CID 13066690) is 2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid?
The canonical SMILES for 2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid is O=C(O)Cc1cccc(Sc2ccccc2Cl)c1O.
What is the InChIKey of 2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid?
The InChIKey is XNKPDUZBDBWBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3S/c15-10-5-1-2-6-11(10)19-12-7-3-4-9(14(12)18)8-13(16)17/h1-7,18H,8H2,(H,16,17).
What are the key properties of 2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid?
2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid has a molecular weight of 294.76 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)sulfanyl-2-hydroxyphenyl]acetic acid is sourced from PubChem (CID 13066690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).