2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone

C17H17FO — CID 63409718

IUPAC2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C17H17FO/c1-11-6-12(2)8-14(7-11)10-17(19)15-4-5-16(18)13(3)9-15/h4-9H,10H2,1-3H3
InChIKeyLVEYBETYJZUMKG-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.18
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone

2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 63409718) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
PubChem CID63409718
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C17H17FO/c1-11-6-12(2)8-14(7-11)10-17(19)15-4-5-16(18)13(3)9-15/h4-9H,10H2,1-3H3
InChIKeyLVEYBETYJZUMKG-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409758
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 55186589
1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 116550862
1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 62619864
1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
CID 60797589
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 62802575
1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
CID 82075088
1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone
CID 116548140
1-(4-fluoro-3-methylphenyl)pent-4-yn-1-one
CID 63656708
1-(4-fluoro-3-methylphenyl)octan-1-one
CID 55186778
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82801937
7-chloro-1-(4-fluoro-3-methylphenyl)heptan-1-one
CID 24726762

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone (CID 63409718) is 2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone is Cc1cc(C)cc(CC(=O)c2ccc(F)c(C)c2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is LVEYBETYJZUMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-11-6-12(2)8-14(7-11)10-17(19)15-4-5-16(18)13(3)9-15/h4-9H,10H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone?
2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 256.32 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 63409718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).