4-chloro-2-phenylbenzoic acid

C13H9ClO2 — CID 11424784

IUPAC4-chloro-2-phenylbenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-c1ccccc1
InChIInChI=1S/C13H9ClO2/c14-10-6-7-11(13(15)16)12(8-10)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyDXQNLKFGHDNYIG-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.71
Rot. Bonds2

About 4-chloro-2-phenylbenzoic acid

4-chloro-2-phenylbenzoic acid (PubChem CID 11424784) has the molecular formula C13H9ClO2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-chloro-2-phenylbenzoic acid.

Molecular Properties

Compound Name4-chloro-2-phenylbenzoic acid
PubChem CID11424784
Molecular FormulaC13H9ClO2
Molecular Weight232.67 g/mol
Exact Mass232.03
IUPAC Name4-chloro-2-phenylbenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-c1ccccc1
InChIInChI=1S/C13H9ClO2/c14-10-6-7-11(13(15)16)12(8-10)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyDXQNLKFGHDNYIG-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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Related Compounds

4-chloro-2-(3-hydroxyphenyl)benzoic acid
CID 53224976
4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid
CID 53225386
4-chloro-2-(3,4,5-trichlorophenyl)benzoic acid
CID 134629032
2,5-dichloro-3-phenylbenzoic acid
CID 70699464
4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid
CID 53228734
2-[2-(2-carboxyphenyl)-4-chlorophenyl]benzoic acid
CID 90412939
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
4-chloro-2-(4-nitrophenyl)benzoic acid
CID 175503510
4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid
CID 169382644
2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
CID 67933497
4-chloro-2-(4-ethoxyphenyl)benzoic acid
CID 107989630

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenylbenzoic acid?
The IUPAC name of 4-chloro-2-phenylbenzoic acid (CID 11424784) is 4-chloro-2-phenylbenzoic acid.
What is the SMILES notation for 4-chloro-2-phenylbenzoic acid?
The canonical SMILES for 4-chloro-2-phenylbenzoic acid is O=C(O)c1ccc(Cl)cc1-c1ccccc1.
What is the InChIKey of 4-chloro-2-phenylbenzoic acid?
The InChIKey is DXQNLKFGHDNYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO2/c14-10-6-7-11(13(15)16)12(8-10)9-4-2-1-3-5-9/h1-8H,(H,15,16).
What are the key properties of 4-chloro-2-phenylbenzoic acid?
4-chloro-2-phenylbenzoic 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 4-chloro-2-phenylbenzoic acid is sourced from PubChem (CID 11424784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).