2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone

C15H11ClF2O2 — CID 62030412

IUPAC2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone
SMILESO=C(COCc1ccccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C15H11ClF2O2/c16-11-5-2-1-4-10(11)8-20-9-14(19)15-12(17)6-3-7-13(15)18/h1-7H,8-9H2
InChIKeyBCEQCCCKIPYTNP-UHFFFAOYSA-N
MW296.70 g/mol
LogP4.02
Rot. Bonds5

About 2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone

2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone (PubChem CID 62030412) has the molecular formula C15H11ClF2O2 and a molecular weight of 296.70 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone
PubChem CID62030412
Molecular FormulaC15H11ClF2O2
Molecular Weight296.70 g/mol
Exact Mass296.04
IUPAC Name2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone
SMILESO=C(COCc1ccccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C15H11ClF2O2/c16-11-5-2-1-4-10(11)8-20-9-14(19)15-12(17)6-3-7-13(15)18/h1-7H,8-9H2
InChIKeyBCEQCCCKIPYTNP-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone 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

1-(4-chlorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63935941
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007363
2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone
CID 62030602
2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone
CID 62029649
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63936750
1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone
CID 43800820
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone
CID 60662333
2-(2-chlorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 43160565
2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid
CID 82158643
2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone
CID 82826611
(2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate
CID 7859032

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone (CID 62030412) is 2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone is O=C(COCc1ccccc1Cl)c1c(F)cccc1F.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone?
The InChIKey is BCEQCCCKIPYTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O2/c16-11-5-2-1-4-10(11)8-20-9-14(19)15-12(17)6-3-7-13(15)18/h1-7H,8-9H2.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone?
2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone has a molecular weight of 296.70 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 62030412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).