2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid

C15H12ClFO2 — CID 106882164

IUPAC2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid
SMILESCc1cc(C)c(-c2ccc(Cl)c(C(=O)O)c2)c(F)c1
InChIInChI=1S/C15H12ClFO2/c1-8-5-9(2)14(13(17)6-8)10-3-4-12(16)11(7-10)15(18)19/h3-7H,1-2H3,(H,18,19)
InChIKeyPYZXPDUDJMFCJD-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.46
Rot. Bonds2

About 2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid

2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid (PubChem CID 106882164) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid
PubChem CID106882164
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid
SMILESCc1cc(C)c(-c2ccc(Cl)c(C(=O)O)c2)c(F)c1
InChIInChI=1S/C15H12ClFO2/c1-8-5-9(2)14(13(17)6-8)10-3-4-12(16)11(7-10)15(18)19/h3-7H,1-2H3,(H,18,19)
InChIKeyPYZXPDUDJMFCJD-UHFFFAOYSA-N
XLogP4.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-5-(2,4,6-trimethylphenyl)benzoic acid
CID 54912541
4-(2-fluoro-4,6-dimethylphenyl)benzoic acid
CID 106882157
2-chloro-5-(4-methylphenyl)benzoic acid;ethane
CID 143170543
2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681041
2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid
CID 53219128
2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid
CID 82045546
1-[2-methylsulfanyl-5-(2,4,6-trimethylphenyl)phenyl]ethanone
CID 123808570
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid
CID 114103572
2-chloro-5-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405271
3-[5-(2-fluoro-4,6-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-2,4-dimethylbenzoic acid
CID 159239301
5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid
CID 113324877

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid?
The IUPAC name of 2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid (CID 106882164) is 2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid?
The canonical SMILES for 2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid is Cc1cc(C)c(-c2ccc(Cl)c(C(=O)O)c2)c(F)c1.
What is the InChIKey of 2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid?
The InChIKey is PYZXPDUDJMFCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-8-5-9(2)14(13(17)6-8)10-3-4-12(16)11(7-10)15(18)19/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid?
2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid has a molecular weight of 278.71 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid is sourced from PubChem (CID 106882164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).