4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid

C14H10ClFO2 — CID 162534074

IUPAC4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid
SMILESCc1cc(-c2ccc(Cl)cc2)cc(F)c1C(=O)O
InChIInChI=1S/C14H10ClFO2/c1-8-6-10(7-12(16)13(8)14(17)18)9-2-4-11(15)5-3-9/h2-7H,1H3,(H,17,18)
InChIKeyWQQXOWUBBYDLAC-UHFFFAOYSA-N
MW264.68 g/mol
LogP4.15
Rot. Bonds2

About 4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid

4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid (PubChem CID 162534074) has the molecular formula C14H10ClFO2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid
PubChem CID162534074
Molecular FormulaC14H10ClFO2
Molecular Weight264.68 g/mol
Exact Mass264.04
IUPAC Name4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid
SMILESCc1cc(-c2ccc(Cl)cc2)cc(F)c1C(=O)O
InChIInChI=1S/C14H10ClFO2/c1-8-6-10(7-12(16)13(8)14(17)18)9-2-4-11(15)5-3-9/h2-7H,1H3,(H,17,18)
InChIKeyWQQXOWUBBYDLAC-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

2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid
CID 162534075
2-chloro-6-methyl-4-phenylbenzoic acid
CID 140590152
2,4-difluoro-6-methylbenzoic acid
CID 119005612
4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid
CID 172876917
2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668
5-chloro-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82298915
2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid
CID 53226778
3-fluoro-2-hydroxy-6-methylbenzoic acid
CID 64855766
4-(3-chloro-2-fluorophenyl)-2,6-dimethylbenzoic acid
CID 172876910
4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid
CID 165451215
5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid
CID 107515684
6-chloro-3-fluoro-2-methylbenzoic acid
CID 68752912

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid?
The IUPAC name of 4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid (CID 162534074) is 4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid?
The canonical SMILES for 4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid is Cc1cc(-c2ccc(Cl)cc2)cc(F)c1C(=O)O.
What is the InChIKey of 4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid?
The InChIKey is WQQXOWUBBYDLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO2/c1-8-6-10(7-12(16)13(8)14(17)18)9-2-4-11(15)5-3-9/h2-7H,1H3,(H,17,18).
What are the key properties of 4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid?
4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic 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-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid is sourced from PubChem (CID 162534074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).