4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid

C14H10ClFO2 — CID 53226619

IUPAC4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid
SMILESCc1ccc(-c2ccc(C(=O)O)cc2F)c(Cl)c1
InChIInChI=1S/C14H10ClFO2/c1-8-2-4-10(12(15)6-8)11-5-3-9(14(17)18)7-13(11)16/h2-7H,1H3,(H,17,18)
InChIKeyZNSYJYBVMBDIAM-UHFFFAOYSA-N
MW264.68 g/mol
LogP4.15
Rot. Bonds2

About 4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid

4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid (PubChem CID 53226619) has the molecular formula C14H10ClFO2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid
PubChem CID53226619
Molecular FormulaC14H10ClFO2
Molecular Weight264.68 g/mol
Exact Mass264.04
IUPAC Name4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid
SMILESCc1ccc(-c2ccc(C(=O)O)cc2F)c(Cl)c1
InChIInChI=1S/C14H10ClFO2/c1-8-2-4-10(12(15)6-8)11-5-3-9(14(17)18)7-13(11)16/h2-7H,1H3,(H,17,18)
InChIKeyZNSYJYBVMBDIAM-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-(2,4-dichlorophenyl)-3-fluorobenzoic acid
CID 53211306
4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid
CID 53226634
3-chloro-4-(2,4-dimethylphenyl)benzoic acid
CID 81307407
3-chloro-4-(2-chloro-4-fluoro-5-methylphenyl)benzoic acid
CID 81308236
4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid
CID 53225503
3-fluoro-4-(2,3,4,5,6-pentachlorophenyl)benzoic acid
CID 134620174
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
CID 67933510
3-fluoro-4-(2,4,5-trifluorophenyl)benzoic acid
CID 115503073
4-(2,6-dichlorophenyl)-3-fluorobenzoic acid
CID 119008734
4-(5-bromo-2-fluorophenyl)-3-chlorobenzoic acid
CID 81308229
1-[4-(4-bromo-2-chlorophenyl)-3-fluorophenyl]ethanone
CID 21406759
4-chloro-3-fluorobenzoic acid
CID 2736536

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid?
The IUPAC name of 4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid (CID 53226619) is 4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid is Cc1ccc(-c2ccc(C(=O)O)cc2F)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid?
The InChIKey is ZNSYJYBVMBDIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO2/c1-8-2-4-10(12(15)6-8)11-5-3-9(14(17)18)7-13(11)16/h2-7H,1H3,(H,17,18).
What are the key properties of 4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid?
4-(2-chloro-4-methylphenyl)-3-fluorobenzoic 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-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid is sourced from PubChem (CID 53226619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).