5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid

C14H10ClFO2 — CID 113324877

IUPAC5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid
SMILESCc1ccc(-c2ccc(F)cc2Cl)cc1C(=O)O
InChIInChI=1S/C14H10ClFO2/c1-8-2-3-9(6-12(8)14(17)18)11-5-4-10(16)7-13(11)15/h2-7H,1H3,(H,17,18)
InChIKeyHJFIWOMAMNREKA-UHFFFAOYSA-N
MW264.68 g/mol
LogP4.15
Rot. Bonds2

About 5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid

5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid (PubChem CID 113324877) has the molecular formula C14H10ClFO2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid
PubChem CID113324877
Molecular FormulaC14H10ClFO2
Molecular Weight264.68 g/mol
Exact Mass264.04
IUPAC Name5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid
SMILESCc1ccc(-c2ccc(F)cc2Cl)cc1C(=O)O
InChIInChI=1S/C14H10ClFO2/c1-8-2-3-9(6-12(8)14(17)18)11-5-4-10(16)7-13(11)15/h2-7H,1H3,(H,17,18)
InChIKeyHJFIWOMAMNREKA-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

5-(2,4-dichlorophenyl)-2-methylbenzoic acid
CID 65307021
2-methyl-5-(2,3,4-trifluorophenyl)benzoic acid
CID 65309587
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
2-fluoro-4-(5-fluoro-2-methylphenyl)benzoic acid
CID 53211117
2-[5-(2-chloro-4-fluorophenyl)-2-fluorophenyl]acetic acid
CID 176548281
2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 102755397
2-chloro-5-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405271
5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid
CID 114103572
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid
CID 107515684
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid (CID 113324877) is 5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid is Cc1ccc(-c2ccc(F)cc2Cl)cc1C(=O)O.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid?
The InChIKey is HJFIWOMAMNREKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO2/c1-8-2-3-9(6-12(8)14(17)18)11-5-4-10(16)7-13(11)15/h2-7H,1H3,(H,17,18).
What are the key properties of 5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid?
5-(2-chloro-4-fluorophenyl)-2-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 5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid is sourced from PubChem (CID 113324877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).