4-(2,5-dimethylphenyl)-2-fluorobenzoic acid

C15H13FO2 — CID 53211178

IUPAC4-(2,5-dimethylphenyl)-2-fluorobenzoic acid
SMILESCc1ccc(C)c(-c2ccc(C(=O)O)c(F)c2)c1
InChIInChI=1S/C15H13FO2/c1-9-3-4-10(2)13(7-9)11-5-6-12(15(17)18)14(16)8-11/h3-8H,1-2H3,(H,17,18)
InChIKeyBVBNEESGKLGIDA-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.81
Rot. Bonds2

About 4-(2,5-dimethylphenyl)-2-fluorobenzoic acid

4-(2,5-dimethylphenyl)-2-fluorobenzoic acid (PubChem CID 53211178) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-2-fluorobenzoic acid
PubChem CID53211178
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Name4-(2,5-dimethylphenyl)-2-fluorobenzoic acid
SMILESCc1ccc(C)c(-c2ccc(C(=O)O)c(F)c2)c1
InChIInChI=1S/C15H13FO2/c1-9-3-4-10(2)13(7-9)11-5-6-12(15(17)18)14(16)8-11/h3-8H,1-2H3,(H,17,18)
InChIKeyBVBNEESGKLGIDA-UHFFFAOYSA-N
XLogP3.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid
CID 53211098
2-fluoro-4-(5-fluoro-2-methylphenyl)benzoic acid
CID 53211117
2-fluoro-4-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 102755421
5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid
CID 172914061
4-(2-acetylphenyl)-2-fluorobenzoic acid
CID 70699728
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
2-fluoro-4-(5-methyl-1-benzofuran-2-yl)benzoic acid
CID 114731641
5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
CID 107515552
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927
2-[4-(2,5-dimethylphenyl)phenyl]acetic acid
CID 82044426
2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid
CID 64984855
3-(2,5-dimethylphenyl)benzoic acid
CID 39246828

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-2-fluorobenzoic acid?
The IUPAC name of 4-(2,5-dimethylphenyl)-2-fluorobenzoic acid (CID 53211178) is 4-(2,5-dimethylphenyl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(2,5-dimethylphenyl)-2-fluorobenzoic acid is Cc1ccc(C)c(-c2ccc(C(=O)O)c(F)c2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-2-fluorobenzoic acid?
The InChIKey is BVBNEESGKLGIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-9-3-4-10(2)13(7-9)11-5-6-12(15(17)18)14(16)8-11/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-(2,5-dimethylphenyl)-2-fluorobenzoic acid?
4-(2,5-dimethylphenyl)-2-fluorobenzoic acid has a molecular weight of 244.26 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-2-fluorobenzoic acid is sourced from PubChem (CID 53211178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).