4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid

C14H10ClFO2 — CID 53225503

IUPAC4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid
SMILESCc1ccc(F)c(-c2cc(C(=O)O)ccc2Cl)c1
InChIInChI=1S/C14H10ClFO2/c1-8-2-5-13(16)11(6-8)10-7-9(14(17)18)3-4-12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyHIAZUMKHXRWGDH-UHFFFAOYSA-N
MW264.68 g/mol
LogP4.15
Rot. Bonds2

About 4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid

4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid (PubChem CID 53225503) has the molecular formula C14H10ClFO2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid
PubChem CID53225503
Molecular FormulaC14H10ClFO2
Molecular Weight264.68 g/mol
Exact Mass264.04
IUPAC Name4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid
SMILESCc1ccc(F)c(-c2cc(C(=O)O)ccc2Cl)c1
InChIInChI=1S/C14H10ClFO2/c1-8-2-5-13(16)11(6-8)10-7-9(14(17)18)3-4-12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyHIAZUMKHXRWGDH-UHFFFAOYSA-N
XLogP4.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid
CID 53226634
4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid
CID 53226619
3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride
CID 134618190
4-fluoro-3-(3-methylphenyl)benzoic acid
CID 52984086
4-chloro-3-fluorobenzoic acid
CID 2736536
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid
CID 107989864
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392
3-chloro-4-(2-chloro-4-fluoro-5-methylphenyl)benzoic acid
CID 81308236
3-chloro-4-(2,4-dimethylphenyl)benzoic acid
CID 81307407
4-(5-bromo-2-fluorophenyl)-3-chlorobenzoic acid
CID 81308229
3-(3-chlorothiophen-2-yl)-4-fluorobenzoic acid
CID 107957646

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid?
The IUPAC name of 4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid (CID 53225503) is 4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid.
What is the SMILES notation for 4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid?
The canonical SMILES for 4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid is Cc1ccc(F)c(-c2cc(C(=O)O)ccc2Cl)c1.
What is the InChIKey of 4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid?
The InChIKey is HIAZUMKHXRWGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO2/c1-8-2-5-13(16)11(6-8)10-7-9(14(17)18)3-4-12(10)15/h2-7H,1H3,(H,17,18).
What are the key properties of 4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid?
4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid has a molecular weight of 264.68 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid is sourced from PubChem (CID 53225503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).