2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid

C14H9ClF2O3 — CID 104651365

IUPAC2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1OCc1cccc(F)c1Cl
InChIInChI=1S/C14H9ClF2O3/c15-13-8(3-1-5-10(13)17)7-20-11-6-2-4-9(16)12(11)14(18)19/h1-6H,7H2,(H,18,19)
InChIKeyNIPOEHYTIONHJK-UHFFFAOYSA-N
MW298.67 g/mol
LogP3.90
Rot. Bonds4

About 2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid

2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid (PubChem CID 104651365) has the molecular formula C14H9ClF2O3 and a molecular weight of 298.67 g/mol. Its IUPAC name is 2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid
PubChem CID104651365
Molecular FormulaC14H9ClF2O3
Molecular Weight298.67 g/mol
Exact Mass298.02
IUPAC Name2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1OCc1cccc(F)c1Cl
InChIInChI=1S/C14H9ClF2O3/c15-13-8(3-1-5-10(13)17)7-20-11-6-2-4-9(16)12(11)14(18)19/h1-6H,7H2,(H,18,19)
InChIKeyNIPOEHYTIONHJK-UHFFFAOYSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.67
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chloro-3-fluorophenyl)methoxy]-6-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

2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 115982957
2-amino-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107341591
2-chloro-6-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 102856041
2-fluoro-6-[(4-fluorophenyl)methoxy]benzoic acid
CID 104651324
2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107013949
2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
CID 112652323
2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid
CID 78975229
[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 115983156
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
(2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid
CID 104875534
2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid
CID 107014119
2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid
CID 107014003

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid?
The IUPAC name of 2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid (CID 104651365) is 2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid?
The canonical SMILES for 2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid is O=C(O)c1c(F)cccc1OCc1cccc(F)c1Cl.
What is the InChIKey of 2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid?
The InChIKey is NIPOEHYTIONHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O3/c15-13-8(3-1-5-10(13)17)7-20-11-6-2-4-9(16)12(11)14(18)19/h1-6H,7H2,(H,18,19).
What are the key properties of 2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid?
2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid has a molecular weight of 298.67 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid is sourced from PubChem (CID 104651365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).