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

C15H13FO3 — CID 176508636

IUPAC3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid
SMILESCOc1cccc(-c2cc(C(=O)O)cc(F)c2C)c1
InChIInChI=1S/C15H13FO3/c1-9-13(7-11(15(17)18)8-14(9)16)10-4-3-5-12(6-10)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyPYWRFUFZWZGXSS-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.51
Rot. Bonds3

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

3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid (PubChem CID 176508636) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid.

Molecular Properties

Compound Name3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid
PubChem CID176508636
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid
SMILESCOc1cccc(-c2cc(C(=O)O)cc(F)c2C)c1
InChIInChI=1S/C15H13FO3/c1-9-13(7-11(15(17)18)8-14(9)16)10-4-3-5-12(6-10)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyPYWRFUFZWZGXSS-UHFFFAOYSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid
CID 176508639
3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid
CID 176508630
3-(2,6-difluorophenyl)-5-methoxybenzoic acid
CID 53225965
3-methoxy-4-(3-methoxyphenyl)-5-methylbenzoic acid
CID 54308818
methyl 3-fluoro-4-(3-methoxyphenyl)benzoate
CID 75488340
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
1-[2-fluoro-6-(3-methoxyphenyl)phenyl]ethanone
CID 175686725
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362326
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53211302
3-(3-chloro-5-fluorophenyl)-5-fluoro-4-methylbenzoic acid
CID 176508653

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid?
The IUPAC name of 3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid (CID 176508636) is 3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid.
What is the SMILES notation for 3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid?
The canonical SMILES for 3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid is COc1cccc(-c2cc(C(=O)O)cc(F)c2C)c1.
What is the InChIKey of 3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid?
The InChIKey is PYWRFUFZWZGXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-9-13(7-11(15(17)18)8-14(9)16)10-4-3-5-12(6-10)19-2/h3-8H,1-2H3,(H,17,18).
What are the key properties of 3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid?
3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid has a molecular weight of 260.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid is sourced from PubChem (CID 176508636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).