2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one

C16H14F2O2 — CID 64854262

IUPAC2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
SMILESCc1ccc(F)c(OC(C)C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H14F2O2/c1-10-3-8-14(18)15(9-10)20-11(2)16(19)12-4-6-13(17)7-5-12/h3-9,11H,1-2H3
InChIKeyHRAIXWDBJMEYLI-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.92
Rot. Bonds4

About 2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one

2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one (PubChem CID 64854262) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
PubChem CID64854262
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
SMILESCc1ccc(F)c(OC(C)C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H14F2O2/c1-10-3-8-14(18)15(9-10)20-11(2)16(19)12-4-6-13(17)7-5-12/h3-9,11H,1-2H3
InChIKeyHRAIXWDBJMEYLI-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 43411892
1-(2,4-dichlorophenyl)-2-(2-fluoro-5-methylphenoxy)propan-1-one
CID 64854263
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 43412278
2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one
CID 114674200
2-(5-bromo-2-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 114674182
(2R)-1-(3,4-difluorophenyl)-2-(4-methyl-2-nitrophenoxy)propan-1-one
CID 8561805
2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 64855022
1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 43413854
2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43412325
2-(2,5-difluorophenoxy)propanamide
CID 63269491
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 40728613

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one (CID 64854262) is 2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one is Cc1ccc(F)c(OC(C)C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is HRAIXWDBJMEYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-10-3-8-14(18)15(9-10)20-11(2)16(19)12-4-6-13(17)7-5-12/h3-9,11H,1-2H3.
What are the key properties of 2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one?
2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 276.28 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 64854262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).