2-[(2,4-difluorophenyl)methoxy]benzoic acid

C14H10F2O3 — CID 62198104

IUPAC2-[(2,4-difluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1ccc(F)cc1F
InChIInChI=1S/C14H10F2O3/c15-10-6-5-9(12(16)7-10)8-19-13-4-2-1-3-11(13)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyQOEKIZCLFOITRL-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.24
Rot. Bonds4

About 2-[(2,4-difluorophenyl)methoxy]benzoic acid

2-[(2,4-difluorophenyl)methoxy]benzoic acid (PubChem CID 62198104) has the molecular formula C14H10F2O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methoxy]benzoic acid
PubChem CID62198104
Molecular FormulaC14H10F2O3
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name2-[(2,4-difluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1ccc(F)cc1F
InChIInChI=1S/C14H10F2O3/c15-10-6-5-9(12(16)7-10)8-19-13-4-2-1-3-11(13)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyQOEKIZCLFOITRL-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875972
2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 24699873
2-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 62196027
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid
CID 107908427
5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
CID 63679246
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422
2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 90329310
3-[(4-chloro-2-fluorophenyl)methoxy]-2-methylbenzoic acid
CID 114847687
2-[(4-bromo-2-fluorophenyl)methoxy]benzamide
CID 7640045
2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014311
4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid
CID 104637811

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methoxy]benzoic acid?
The IUPAC name of 2-[(2,4-difluorophenyl)methoxy]benzoic acid (CID 62198104) is 2-[(2,4-difluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 2-[(2,4-difluorophenyl)methoxy]benzoic acid is O=C(O)c1ccccc1OCc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methoxy]benzoic acid?
The InChIKey is QOEKIZCLFOITRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3/c15-10-6-5-9(12(16)7-10)8-19-13-4-2-1-3-11(13)14(17)18/h1-7H,8H2,(H,17,18).
What are the key properties of 2-[(2,4-difluorophenyl)methoxy]benzoic acid?
2-[(2,4-difluorophenyl)methoxy]benzoic acid has a molecular weight of 264.23 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 62198104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).