4-fluoro-3-(3-methylphenyl)benzoic acid

C14H11FO2 — CID 52984086

IUPAC4-fluoro-3-(3-methylphenyl)benzoic acid
SMILESCc1cccc(-c2cc(C(=O)O)ccc2F)c1
InChIInChI=1S/C14H11FO2/c1-9-3-2-4-10(7-9)12-8-11(14(16)17)5-6-13(12)15/h2-8H,1H3,(H,16,17)
InChIKeyMDMVUKAUZUEYPS-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.50
Rot. Bonds2

About 4-fluoro-3-(3-methylphenyl)benzoic acid

4-fluoro-3-(3-methylphenyl)benzoic acid (PubChem CID 52984086) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 4-fluoro-3-(3-methylphenyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(3-methylphenyl)benzoic acid
PubChem CID52984086
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Name4-fluoro-3-(3-methylphenyl)benzoic acid
SMILESCc1cccc(-c2cc(C(=O)O)ccc2F)c1
InChIInChI=1S/C14H11FO2/c1-9-3-2-4-10(7-9)12-8-11(14(16)17)5-6-13(12)15/h2-8H,1H3,(H,16,17)
InChIKeyMDMVUKAUZUEYPS-UHFFFAOYSA-N
XLogP3.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321
4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 52984137
4-fluoro-3-(3-propan-2-ylphenyl)benzoic acid
CID 175665590
1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone
CID 54912743
3-(difluoromethoxy)-4-(3-methylphenyl)benzoic acid
CID 164888618
3-[2-fluoro-5-[(E)-4-methoxy-4-oxobut-2-en-2-yl]phenyl]benzoic acid
CID 110447244
4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid
CID 53225503
3-methylbenzoic acid
CID 7418
3-(3-methylphenyl)-1H-indole-5-carboxylic acid
CID 171776998
methyl 3-(2-fluoro-5-methylphenyl)benzoate
CID 75488323
1-[2,6-difluoro-3-(3-methylphenyl)phenyl]-2,2,2-trifluoroethanone
CID 58068002
3-(2,5-dimethylphenyl)benzoic acid
CID 39246828

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3-methylphenyl)benzoic acid?
The IUPAC name of 4-fluoro-3-(3-methylphenyl)benzoic acid (CID 52984086) is 4-fluoro-3-(3-methylphenyl)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(3-methylphenyl)benzoic acid?
The canonical SMILES for 4-fluoro-3-(3-methylphenyl)benzoic acid is Cc1cccc(-c2cc(C(=O)O)ccc2F)c1.
What is the InChIKey of 4-fluoro-3-(3-methylphenyl)benzoic acid?
The InChIKey is MDMVUKAUZUEYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c1-9-3-2-4-10(7-9)12-8-11(14(16)17)5-6-13(12)15/h2-8H,1H3,(H,16,17).
What are the key properties of 4-fluoro-3-(3-methylphenyl)benzoic acid?
4-fluoro-3-(3-methylphenyl)benzoic acid has a molecular weight of 230.24 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3-methylphenyl)benzoic acid is sourced from PubChem (CID 52984086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).