3-(4-chlorophenyl)benzoic acid

C13H9ClO2 — CID 2757419

IUPAC3-(4-chlorophenyl)benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H9ClO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16)
InChIKeyOWFMSKZVCPGDEJ-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.71
Rot. Bonds2

About 3-(4-chlorophenyl)benzoic acid

3-(4-chlorophenyl)benzoic acid (PubChem CID 2757419) has the molecular formula C13H9ClO2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)benzoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)benzoic acid
PubChem CID2757419
Molecular FormulaC13H9ClO2
Molecular Weight232.67 g/mol
Exact Mass232.03
IUPAC Name3-(4-chlorophenyl)benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H9ClO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16)
InChIKeyOWFMSKZVCPGDEJ-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

3-(4-carboxyphenyl)benzoic acid
CID 11550488
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404
3-(3-chloro-4-phenylphenyl)benzoic acid
CID 68550089
2-[3-(4-chlorophenyl)phenyl]prop-2-enamide
CID 174399268
3-(4-chloro-3-cyanophenyl)benzoic acid
CID 53218380
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
3-[3-(3-carboxyphenyl)-6-chloroquinoxalin-2-yl]benzoic acid
CID 139724557
3-(4-chlorophenyl)-5-iodobenzoic acid
CID 126572744
5-(3-carboxyphenyl)-2-hydroxybenzoic acid
CID 102139788
3-[4-(furan-2-yl)phenyl]benzoic acid
CID 168527049

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)benzoic acid?
The IUPAC name of 3-(4-chlorophenyl)benzoic acid (CID 2757419) is 3-(4-chlorophenyl)benzoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)benzoic acid?
The canonical SMILES for 3-(4-chlorophenyl)benzoic acid is O=C(O)c1cccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)benzoic acid?
The InChIKey is OWFMSKZVCPGDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16).
What are the key properties of 3-(4-chlorophenyl)benzoic acid?
3-(4-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 3-(4-chlorophenyl)benzoic acid is sourced from PubChem (CID 2757419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).