2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone

C16H14F2O2 — CID 63269744

IUPAC2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2cc(F)ccc2F)c(C)c1
InChIInChI=1S/C16H14F2O2/c1-10-3-5-13(11(2)7-10)15(19)9-20-16-8-12(17)4-6-14(16)18/h3-8H,9H2,1-2H3
InChIKeyYEWXJKAQIKYEQS-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.84
Rot. Bonds4

About 2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone

2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone (PubChem CID 63269744) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone
PubChem CID63269744
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2cc(F)ccc2F)c(C)c1
InChIInChI=1S/C16H14F2O2/c1-10-3-5-13(11(2)7-10)15(19)9-20-16-8-12(17)4-6-14(16)18/h3-8H,9H2,1-2H3
InChIKeyYEWXJKAQIKYEQS-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenoxy)-1-(2-methylphenyl)ethanone
CID 55169275
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone
CID 102982740
1-(2,4-dimethylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778164
2-(2,5-difluorophenoxy)-1-(2-fluorophenyl)ethanone
CID 63269522
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 46307357
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909
2-(2,5-difluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 63269700
1-(2-fluoro-5-methylphenoxy)propan-2-one
CID 64855614
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate
CID 8646530
3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64853662
2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 114674097

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone (CID 63269744) is 2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)COc2cc(F)ccc2F)c(C)c1.
What is the InChIKey of 2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is YEWXJKAQIKYEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-10-3-5-13(11(2)7-10)15(19)9-20-16-8-12(17)4-6-14(16)18/h3-8H,9H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone?
2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 276.28 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 63269744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).