2-benzoyl-5-chlorobenzoic acid

C14H9ClO3 — CID 14370

IUPAC2-benzoyl-5-chlorobenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1C(=O)c1ccccc1
InChIInChI=1S/C14H9ClO3/c15-10-6-7-11(12(8-10)14(17)18)13(16)9-4-2-1-3-5-9/h1-8H,(H,17,18)
InChIKeyLSVPCSOPJGPTNA-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.27
Rot. Bonds3

About 2-benzoyl-5-chlorobenzoic acid

2-benzoyl-5-chlorobenzoic acid (PubChem CID 14370) has the molecular formula C14H9ClO3 and a molecular weight of 260.68 g/mol. Its IUPAC name is 2-benzoyl-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-benzoyl-5-chlorobenzoic acid
PubChem CID14370
Molecular FormulaC14H9ClO3
Molecular Weight260.68 g/mol
Exact Mass260.02
IUPAC Name2-benzoyl-5-chlorobenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1C(=O)c1ccccc1
InChIInChI=1S/C14H9ClO3/c15-10-6-7-11(12(8-10)14(17)18)13(16)9-4-2-1-3-5-9/h1-8H,(H,17,18)
InChIKeyLSVPCSOPJGPTNA-UHFFFAOYSA-N
XLogP3.27
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 74989
2-Benzoylbenzoic Acid
CID 6813
2-(4-Fluorobenzoyl)benzoic acid
CID 82099
2-(p-Toluoyl)benzoic acid
CID 66563
3-Chloro-2-methylbenzoic acid
CID 82010
2-(4'-Chlorobenzoyl)benzoic acid
CID 66564
4-Chlorophthalic acid
CID 6964
4,5-Dichlorophthalic acid
CID 92600
2-(2-Phenylacetyl)benzoic acid
CID 36343
2-Chloro-6-methylbenzoic acid
CID 88870
4-Biphenylcarboxylic acid, 4'-chloro-
CID 616002
5-Chloro-2-methylbenzoic acid
CID 82009

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-5-chlorobenzoic acid?
The IUPAC name of 2-benzoyl-5-chlorobenzoic acid (CID 14370) is 2-benzoyl-5-chlorobenzoic acid.
What is the SMILES notation for 2-benzoyl-5-chlorobenzoic acid?
The canonical SMILES for 2-benzoyl-5-chlorobenzoic acid is O=C(O)c1cc(Cl)ccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-5-chlorobenzoic acid?
The InChIKey is LSVPCSOPJGPTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO3/c15-10-6-7-11(12(8-10)14(17)18)13(16)9-4-2-1-3-5-9/h1-8H,(H,17,18).
What are the key properties of 2-benzoyl-5-chlorobenzoic acid?
2-benzoyl-5-chlorobenzoic acid has a molecular weight of 260.68 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-5-chlorobenzoic acid is sourced from PubChem (CID 14370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).