5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid

C15H12ClFO2 — CID 107515684

IUPAC5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid
SMILESCc1cc(C)c(-c2ccc(F)c(Cl)c2)cc1C(=O)O
InChIInChI=1S/C15H12ClFO2/c1-8-5-9(2)12(15(18)19)7-11(8)10-3-4-14(17)13(16)6-10/h3-7H,1-2H3,(H,18,19)
InChIKeyUDPANUHIIJJBKY-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.46
Rot. Bonds2

About 5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid

5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid (PubChem CID 107515684) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid
PubChem CID107515684
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid
SMILESCc1cc(C)c(-c2ccc(F)c(Cl)c2)cc1C(=O)O
InChIInChI=1S/C15H12ClFO2/c1-8-5-9(2)12(15(18)19)7-11(8)10-3-4-14(17)13(16)6-10/h3-7H,1-2H3,(H,18,19)
InChIKeyUDPANUHIIJJBKY-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

4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid
CID 64984855
methyl 2-amino-4-(3-chloro-4-fluorophenyl)-5-methylbenzoate
CID 164541567
5-(2,4-dichlorophenyl)-2-methylbenzoic acid
CID 65307021
[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-3-yl]-(4-chlorophenyl)methanone
CID 102498223
2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid
CID 107515583
5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid
CID 113324877
2,4-dimethyl-5-pyridin-4-ylbenzoic acid
CID 107515528
2-methyl-5-(2,3,4-trifluorophenyl)benzoic acid
CID 65309587
2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid
CID 53225530
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
CID 162313209
CID 162313209

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid (CID 107515684) is 5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid is Cc1cc(C)c(-c2ccc(F)c(Cl)c2)cc1C(=O)O.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid?
The InChIKey is UDPANUHIIJJBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-8-5-9(2)12(15(18)19)7-11(8)10-3-4-14(17)13(16)6-10/h3-7H,1-2H3,(H,18,19).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid?
5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic 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 5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid is sourced from PubChem (CID 107515684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).