5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid

C15H13FO3 — CID 113281422

IUPAC5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
SMILESCc1ccccc1COc1ccc(F)cc1C(=O)O
InChIInChI=1S/C15H13FO3/c1-10-4-2-3-5-11(10)9-19-14-7-6-12(16)8-13(14)15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyZYVNQHBMVDYJLO-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.41
Rot. Bonds4

About 5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid

5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid (PubChem CID 113281422) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
PubChem CID113281422
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
SMILESCc1ccccc1COc1ccc(F)cc1C(=O)O
InChIInChI=1S/C15H13FO3/c1-10-4-2-3-5-11(10)9-19-14-7-6-12(16)8-13(14)15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyZYVNQHBMVDYJLO-UHFFFAOYSA-N
XLogP3.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-2-[(2-methylphenyl)methoxy]benzoic 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

5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
CID 25109956
2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid
CID 114345678
[5-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 107698567
5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
CID 115298089
2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 24699873
5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
CID 63679246
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid
CID 105369808
2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014311
2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride
CID 19755755

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid?
The IUPAC name of 5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid (CID 113281422) is 5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid is Cc1ccccc1COc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid?
The InChIKey is ZYVNQHBMVDYJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-10-4-2-3-5-11(10)9-19-14-7-6-12(16)8-13(14)15(17)18/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid?
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid has a molecular weight of 260.26 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 113281422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).