2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid

C15H13FO3 — CID 117221035

IUPAC2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid
SMILESCc1ccc(COc2ccccc2F)c(C(=O)O)c1
InChIInChI=1S/C15H13FO3/c1-10-6-7-11(12(8-10)15(17)18)9-19-14-5-3-2-4-13(14)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyPPDAMOIXTBVRCY-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.41
Rot. Bonds4

About 2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid

2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid (PubChem CID 117221035) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid
PubChem CID117221035
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid
SMILESCc1ccc(COc2ccccc2F)c(C(=O)O)c1
InChIInChI=1S/C15H13FO3/c1-10-6-7-11(12(8-10)15(17)18)9-19-14-5-3-2-4-13(14)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyPPDAMOIXTBVRCY-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 2-[(2-fluorophenoxy)methyl]-5-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

2-[(3-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221147
5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid
CID 63292702
5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
CID 25109956
5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
CID 63679246
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid
CID 102875976
5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid
CID 117221103
2-(ethoxymethyl)-5-methylbenzoic acid
CID 117221377
3-[(2-fluorophenoxy)methyl]-1-benzothiophene-7-carboxylic acid
CID 117181633
2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875972
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoic acid
CID 142776167

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid (CID 117221035) is 2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid is Cc1ccc(COc2ccccc2F)c(C(=O)O)c1.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid?
The InChIKey is PPDAMOIXTBVRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-10-6-7-11(12(8-10)15(17)18)9-19-14-5-3-2-4-13(14)16/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid?
2-[(2-fluorophenoxy)methyl]-5-methylbenzoic 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 2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid is sourced from PubChem (CID 117221035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).