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

C14H9ClF2O3 — CID 114930306

IUPAC3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cccc(Cl)c1OCc1c(F)cccc1F
InChIInChI=1S/C14H9ClF2O3/c15-10-4-1-3-8(14(18)19)13(10)20-7-9-11(16)5-2-6-12(9)17/h1-6H,7H2,(H,18,19)
InChIKeyFOPBLUVLUBIYAA-UHFFFAOYSA-N
MW298.67 g/mol
LogP3.90
Rot. Bonds4

About 3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid

3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid (PubChem CID 114930306) has the molecular formula C14H9ClF2O3 and a molecular weight of 298.67 g/mol. Its IUPAC name is 3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid
PubChem CID114930306
Molecular FormulaC14H9ClF2O3
Molecular Weight298.67 g/mol
Exact Mass298.02
IUPAC Name3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1cccc(Cl)c1OCc1c(F)cccc1F
InChIInChI=1S/C14H9ClF2O3/c15-10-4-1-3-8(14(18)19)13(10)20-7-9-11(16)5-2-6-12(9)17/h1-6H,7H2,(H,18,19)
InChIKeyFOPBLUVLUBIYAA-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-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid
CID 114930307
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106500553
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid
CID 112612027
3-chloro-2-(pyridin-4-ylmethoxy)benzoic acid
CID 112612042
2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid
CID 115955941
3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002
3-fluoro-2-(phenoxymethyl)benzoic acid
CID 67133785
2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid
CID 65124992
2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline
CID 55200768
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid?
The IUPAC name of 3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid (CID 114930306) is 3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid is O=C(O)c1cccc(Cl)c1OCc1c(F)cccc1F.
What is the InChIKey of 3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid?
The InChIKey is FOPBLUVLUBIYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O3/c15-10-4-1-3-8(14(18)19)13(10)20-7-9-11(16)5-2-6-12(9)17/h1-6H,7H2,(H,18,19).
What are the key properties of 3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid?
3-chloro-2-[(2,6-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 3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 114930306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).