3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid

C15H13FO2 — CID 81476712

IUPAC3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid
SMILESCc1cc(F)cc(-c2cc(C(=O)O)ccc2C)c1
InChIInChI=1S/C15H13FO2/c1-9-5-12(7-13(16)6-9)14-8-11(15(17)18)4-3-10(14)2/h3-8H,1-2H3,(H,17,18)
InChIKeyQDMFHGWKWLFLEF-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.81
Rot. Bonds2

About 3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid

3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid (PubChem CID 81476712) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid.

Molecular Properties

Compound Name3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid
PubChem CID81476712
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Name3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid
SMILESCc1cc(F)cc(-c2cc(C(=O)O)ccc2C)c1
InChIInChI=1S/C15H13FO2/c1-9-5-12(7-13(16)6-9)14-8-11(15(17)18)4-3-10(14)2/h3-8H,1-2H3,(H,17,18)
InChIKeyQDMFHGWKWLFLEF-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

3-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzoic acid
CID 87430681
3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid
CID 81476549
4-amino-3-(3,5-dimethylphenyl)benzoic acid
CID 82292985
4-methyl-3-(4-propan-2-ylphenyl)benzoic acid
CID 67519519
4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid
CID 53227336
4-fluoro-3-(3-methylphenyl)benzoic acid
CID 52984086
3-(3,4-diethylphenyl)-4-methylbenzoic acid
CID 115482483
methyl 3-(2,5-dimethylphenyl)-5-fluorobenzoate
CID 103186373
4-(4-fluoro-2,6-dimethylphenyl)benzoic acid
CID 106879235
3-fluoro-4-(4-fluoro-2,6-dimethylphenyl)benzoic acid
CID 106879243
3-(2,5-dimethylphenyl)benzoic acid
CID 39246828
4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
CID 154692263

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid?
The IUPAC name of 3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid (CID 81476712) is 3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid.
What is the SMILES notation for 3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid?
The canonical SMILES for 3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid is Cc1cc(F)cc(-c2cc(C(=O)O)ccc2C)c1.
What is the InChIKey of 3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid?
The InChIKey is QDMFHGWKWLFLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-9-5-12(7-13(16)6-9)14-8-11(15(17)18)4-3-10(14)2/h3-8H,1-2H3,(H,17,18).
What are the key properties of 3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid?
3-(3-fluoro-5-methylphenyl)-4-methylbenzoic 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 3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid is sourced from PubChem (CID 81476712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).