1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone

C15H12F2O2 — CID 155458337

IUPAC1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C15H12F2O2/c1-9-7-11(10(2)18)3-5-14(9)19-15-6-4-12(16)8-13(15)17/h3-8H,1-2H3
InChIKeyJWRKJELQMODPAW-UHFFFAOYSA-N
MW262.25 g/mol
LogP4.27
Rot. Bonds3

About 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone

1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone (PubChem CID 155458337) has the molecular formula C15H12F2O2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone
PubChem CID155458337
Molecular FormulaC15H12F2O2
Molecular Weight262.25 g/mol
Exact Mass262.08
IUPAC Name1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C15H12F2O2/c1-9-7-11(10(2)18)3-5-14(9)19-15-6-4-12(16)8-13(15)17/h3-8H,1-2H3
InChIKeyJWRKJELQMODPAW-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone
CID 63532817
2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid
CID 115298221
1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 62368694
1-[4-(2,4-difluorophenoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
CID 155572073
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]ethanone
CID 55222650
1-[4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]ethanone
CID 28602673
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanone
CID 107724721
1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
CID 63533848
1-(3-fluoro-4-quinolin-8-yloxyphenyl)ethanone
CID 28825225
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone
CID 63532818
4-(2,4-difluorophenoxy)benzoyl chloride
CID 90119275
methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone?
The IUPAC name of 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone (CID 155458337) is 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone?
The canonical SMILES for 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone is CC(=O)c1ccc(Oc2ccc(F)cc2F)c(C)c1.
What is the InChIKey of 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone?
The InChIKey is JWRKJELQMODPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-9-7-11(10(2)18)3-5-14(9)19-15-6-4-12(16)8-13(15)17/h3-8H,1-2H3.
What are the key properties of 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone?
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone has a molecular weight of 262.25 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone is sourced from PubChem (CID 155458337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).