2-chloro-4-phenylbenzoic acid

C13H9ClO2 — CID 21487426

IUPAC2-chloro-4-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C13H9ClO2/c14-12-8-10(6-7-11(12)13(15)16)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeySIJOLCGREMQDIW-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.71
Rot. Bonds2

About 2-chloro-4-phenylbenzoic acid

2-chloro-4-phenylbenzoic acid (PubChem CID 21487426) has the molecular formula C13H9ClO2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-chloro-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-chloro-4-phenylbenzoic acid
PubChem CID21487426
Molecular FormulaC13H9ClO2
Molecular Weight232.67 g/mol
Exact Mass232.03
IUPAC Name2-chloro-4-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C13H9ClO2/c14-12-8-10(6-7-11(12)13(15)16)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeySIJOLCGREMQDIW-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

(2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate
CID 54281074
2-chloro-4-(3-methylsulfanylphenyl)benzoic acid
CID 53226407
4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
CID 53228066
2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid
CID 28668403
2-chloro-4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 118577090
2-chloro-4-[4-(piperidine-1-carbonyl)phenyl]benzoic acid
CID 53228856
ethyl 2-(2-chloro-4-phenylphenyl)-2-oxoacetate
CID 20515168
2-chloro-4-(2-nitrophenyl)benzoic acid
CID 70699639
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68944876
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenylbenzoic acid?
The IUPAC name of 2-chloro-4-phenylbenzoic acid (CID 21487426) is 2-chloro-4-phenylbenzoic acid.
What is the SMILES notation for 2-chloro-4-phenylbenzoic acid?
The canonical SMILES for 2-chloro-4-phenylbenzoic acid is O=C(O)c1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of 2-chloro-4-phenylbenzoic acid?
The InChIKey is SIJOLCGREMQDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO2/c14-12-8-10(6-7-11(12)13(15)16)9-4-2-1-3-5-9/h1-8H,(H,15,16).
What are the key properties of 2-chloro-4-phenylbenzoic acid?
2-chloro-4-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 2-chloro-4-phenylbenzoic acid is sourced from PubChem (CID 21487426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).