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

C14H11ClO2S — CID 826699

IUPAC2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H11ClO2S/c15-11-5-7-12(8-6-11)18-13-4-2-1-3-10(13)9-14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyWZICWIASCZNZHO-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.12
Rot. Bonds4

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

2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid (PubChem CID 826699) has the molecular formula C14H11ClO2S and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid
PubChem CID826699
Molecular FormulaC14H11ClO2S
Molecular Weight278.76 g/mol
Exact Mass278.02
IUPAC Name2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H11ClO2S/c15-11-5-7-12(8-6-11)18-13-4-2-1-3-10(13)9-14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyWZICWIASCZNZHO-UHFFFAOYSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid (CID 826699) is 2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid is O=C(O)Cc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid?
The InChIKey is WZICWIASCZNZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2S/c15-11-5-7-12(8-6-11)18-13-4-2-1-3-10(13)9-14(16)17/h1-8H,9H2,(H,16,17).
What are the key properties of 2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid?
2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid has a molecular weight of 278.76 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid is sourced from PubChem (CID 826699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).