2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid

C16H16O2S — CID 91879301

IUPAC2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid
SMILESCCc1ccc(Sc2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C16H16O2S/c1-2-12-3-7-14(8-4-12)19-15-9-5-13(6-10-15)11-16(17)18/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyBBGRFJQURHKULT-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.03
Rot. Bonds5

About 2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid

2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid (PubChem CID 91879301) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid
PubChem CID91879301
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid
SMILESCCc1ccc(Sc2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C16H16O2S/c1-2-12-3-7-14(8-4-12)19-15-9-5-13(6-10-15)11-16(17)18/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyBBGRFJQURHKULT-UHFFFAOYSA-N
XLogP4.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(4-ethylphenyl)sulfanylphenyl]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-[4-(3-amino-4-ethylphenyl)sulfanylphenyl]acetic acid
CID 91879347
5-[4-(carboxymethyl)phenyl]sulfanyl-2-ethoxycarbonylbenzoic acid
CID 91879258
2-[4-(2-ethyl-4-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91878983
4-[4-(carboxymethyl)phenyl]sulfanyl-2-methoxycarbonylbenzoic acid
CID 91878701
2-(4-chlorosulfanylphenyl)acetic acid
CID 146211167
2-[4-(4-ethoxycarbonyl-3-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91879262
4-[4-(carboxymethyl)-2-ethylphenyl]sulfanylbenzoic acid
CID 91878674
2-[4-(4-hydroxy-3-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91879791
2-amino-5-(4-ethylphenyl)sulfanylbenzoic acid
CID 91880175
4-[4-(carboxymethyl)phenyl]sulfanyl-2-chlorobenzoic acid
CID 91878693
4-[4-(carboxymethyl)phenyl]sulfanyl-2-iodobenzoic acid
CID 91878695
5-[4-(carboxymethyl)phenyl]sulfanyl-2-iodobenzoic acid
CID 91878004

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid?
The IUPAC name of 2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid (CID 91879301) is 2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid.
What is the SMILES notation for 2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid?
The canonical SMILES for 2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid is CCc1ccc(Sc2ccc(CC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid?
The InChIKey is BBGRFJQURHKULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-2-12-3-7-14(8-4-12)19-15-9-5-13(6-10-15)11-16(17)18/h3-10H,2,11H2,1H3,(H,17,18).
What are the key properties of 2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid?
2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid has a molecular weight of 272.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid is sourced from PubChem (CID 91879301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).