2-(3-chlorophenyl)benzoic acid

C13H9ClO2 — CID 2757415

IUPAC2-(3-chlorophenyl)benzoic acid
SMILESO=C(O)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C13H9ClO2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15)16/h1-8H,(H,15,16)
InChIKeyXOBLGZILIGYWAM-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.71
Rot. Bonds2

About 2-(3-chlorophenyl)benzoic acid

2-(3-chlorophenyl)benzoic acid (PubChem CID 2757415) has the molecular formula C13H9ClO2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-(3-chlorophenyl)benzoic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)benzoic acid
PubChem CID2757415
Molecular FormulaC13H9ClO2
Molecular Weight232.67 g/mol
Exact Mass232.03
IUPAC Name2-(3-chlorophenyl)benzoic acid
SMILESO=C(O)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C13H9ClO2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15)16/h1-8H,(H,15,16)
InChIKeyXOBLGZILIGYWAM-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)benzoic acid?
The IUPAC name of 2-(3-chlorophenyl)benzoic acid (CID 2757415) is 2-(3-chlorophenyl)benzoic acid.
What is the SMILES notation for 2-(3-chlorophenyl)benzoic acid?
The canonical SMILES for 2-(3-chlorophenyl)benzoic acid is O=C(O)c1ccccc1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)benzoic acid?
The InChIKey is XOBLGZILIGYWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15)16/h1-8H,(H,15,16).
What are the key properties of 2-(3-chlorophenyl)benzoic acid?
2-(3-chlorophenyl)benzoic acid has a molecular weight of 232.67 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)benzoic acid is sourced from PubChem (CID 2757415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).