2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone

C17H17FO2 — CID 106679903

IUPAC2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
SMILESCOc1cc(C)cc(C)c1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H17FO2/c1-11-8-12(2)17(16(9-11)20-3)15(19)10-13-4-6-14(18)7-5-13/h4-9H,10H2,1-3H3
InChIKeyZKYUSYAKWNIZTM-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.88
Rot. Bonds4

About 2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone

2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone (PubChem CID 106679903) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
PubChem CID106679903
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
SMILESCOc1cc(C)cc(C)c1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H17FO2/c1-11-8-12(2)17(16(9-11)20-3)15(19)10-13-4-6-14(18)7-5-13/h4-9H,10H2,1-3H3
InChIKeyZKYUSYAKWNIZTM-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 106680034
1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 116809971
1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone
CID 106679943
1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone
CID 116832844
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
4-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)butan-1-one
CID 96659252
1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one
CID 106681967
1-(2-methoxy-4,6-dimethylphenyl)-3-(methylamino)propan-1-one
CID 96672338
1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106681968
1-(2-methoxy-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 106679998
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 82808065
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 116826336

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone (CID 106679903) is 2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone is COc1cc(C)cc(C)c1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone?
The InChIKey is ZKYUSYAKWNIZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-11-8-12(2)17(16(9-11)20-3)15(19)10-13-4-6-14(18)7-5-13/h4-9H,10H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone?
2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone has a molecular weight of 272.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone is sourced from PubChem (CID 106679903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).