2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid

C15H13FO4 — CID 53227277

IUPAC2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid
SMILESCOc1cc(OC)cc(-c2cc(F)ccc2C(=O)O)c1
InChIInChI=1S/C15H13FO4/c1-19-11-5-9(6-12(8-11)20-2)14-7-10(16)3-4-13(14)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyUOTAMGRAQXNWRG-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.21
Rot. Bonds4

About 2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid

2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid (PubChem CID 53227277) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid
PubChem CID53227277
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid
SMILESCOc1cc(OC)cc(-c2cc(F)ccc2C(=O)O)c1
InChIInChI=1S/C15H13FO4/c1-19-11-5-9(6-12(8-11)20-2)14-7-10(16)3-4-13(14)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyUOTAMGRAQXNWRG-UHFFFAOYSA-N
XLogP3.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dimethoxyphenyl)-4-fluorobenzoic 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

4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212
2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid
CID 54912716
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53229470
4-fluoro-2-(2-methoxy-3,4-dimethylphenyl)benzoic acid
CID 103434038
4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid
CID 53225720
4-(3,5-dimethoxyphenyl)-2-ethylbenzene-1,3-dicarboxylic acid
CID 172834763
4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid
CID 54965819
4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681044
5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid
CID 83067813
4-fluoro-2-(5-methyl-3-pyridinyl)benzoic acid
CID 115374988
4-amino-2-(3-methoxyphenyl)benzoic acid
CID 82293595

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid (CID 53227277) is 2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid is COc1cc(OC)cc(-c2cc(F)ccc2C(=O)O)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid?
The InChIKey is UOTAMGRAQXNWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c1-19-11-5-9(6-12(8-11)20-2)14-7-10(16)3-4-13(14)15(17)18/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid?
2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid has a molecular weight of 276.26 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid is sourced from PubChem (CID 53227277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).