2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid

C14H9ClF2O3 — CID 78975229

IUPAC2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1c(Cl)cccc1OCc1cc(F)ccc1F
InChIInChI=1S/C14H9ClF2O3/c15-10-2-1-3-12(13(10)14(18)19)20-7-8-6-9(16)4-5-11(8)17/h1-6H,7H2,(H,18,19)
InChIKeySKUCFIZVMJURAS-UHFFFAOYSA-N
MW298.67 g/mol
LogP3.90
Rot. Bonds4

About 2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid

2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid (PubChem CID 78975229) has the molecular formula C14H9ClF2O3 and a molecular weight of 298.67 g/mol. Its IUPAC name is 2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid
PubChem CID78975229
Molecular FormulaC14H9ClF2O3
Molecular Weight298.67 g/mol
Exact Mass298.02
IUPAC Name2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1c(Cl)cccc1OCc1cc(F)ccc1F
InChIInChI=1S/C14H9ClF2O3/c15-10-2-1-3-12(13(10)14(18)19)20-7-8-6-9(16)4-5-11(8)17/h1-6H,7H2,(H,18,19)
InChIKeySKUCFIZVMJURAS-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

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Related Compounds

2-chloro-6-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid
CID 107905985
2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 115982957
2-chloro-6-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 102856041
2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107013949
2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid
CID 104651365
2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
CID 170873582
2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid
CID 113276788
2-[(2,5-difluorophenyl)methoxy]-5-iodobenzoic acid
CID 115281933
3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde
CID 112611434
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 103046281
2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405705

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid?
The IUPAC name of 2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid (CID 78975229) is 2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid is O=C(O)c1c(Cl)cccc1OCc1cc(F)ccc1F.
What is the InChIKey of 2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid?
The InChIKey is SKUCFIZVMJURAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O3/c15-10-2-1-3-12(13(10)14(18)19)20-7-8-6-9(16)4-5-11(8)17/h1-6H,7H2,(H,18,19).
What are the key properties of 2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid?
2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic 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-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 78975229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).