2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid

C15H12F2O3 — CID 107881304

IUPAC2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid
SMILESCc1ccc(OCc2ccc(F)c(C(=O)O)c2)cc1F
InChIInChI=1S/C15H12F2O3/c1-9-2-4-11(7-14(9)17)20-8-10-3-5-13(16)12(6-10)15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyPGWBCDUSWDJJPZ-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.55
Rot. Bonds4

About 2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid

2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid (PubChem CID 107881304) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid
PubChem CID107881304
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid
SMILESCc1ccc(OCc2ccc(F)c(C(=O)O)c2)cc1F
InChIInChI=1S/C15H12F2O3/c1-9-2-4-11(7-14(9)17)20-8-10-3-5-13(16)12(6-10)15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyPGWBCDUSWDJJPZ-UHFFFAOYSA-N
XLogP3.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]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-[(2,5-dimethylphenoxy)methyl]-2-fluorobenzoic acid
CID 107881075
4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzoic acid
CID 106698232
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid
CID 117220532
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
5-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107879747
4-[(2,5-dimethylphenyl)methoxy]-2-fluorobenzoic acid
CID 107675339
4-[(4-bromo-3-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698455
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
2-fluoro-4-[(4-methylphenyl)methoxy]benzoic acid;[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]methanol
CID 158646614
2-fluoro-4-[(4-methylsulfanylphenoxy)methyl]benzoic acid
CID 106698429

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid (CID 107881304) is 2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid is Cc1ccc(OCc2ccc(F)c(C(=O)O)c2)cc1F.
What is the InChIKey of 2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid?
The InChIKey is PGWBCDUSWDJJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-9-2-4-11(7-14(9)17)20-8-10-3-5-13(16)12(6-10)15(18)19/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid?
2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid has a molecular weight of 278.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 107881304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).