1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone

C17H17FO — CID 62549306

IUPAC1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H17FO/c1-11-8-12(2)16(13(3)9-11)10-17(19)14-4-6-15(18)7-5-14/h4-9H,10H2,1-3H3
InChIKeyFHGMQIZEVARNQG-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.18
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone

1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 62549306) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
PubChem CID62549306
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H17FO/c1-11-8-12(2)16(13(3)9-11)10-17(19)14-4-6-15(18)7-5-14/h4-9H,10H2,1-3H3
InChIKeyFHGMQIZEVARNQG-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

1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966101
1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone
CID 62549667
2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 79722512
1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone
CID 94281136
N-[(2S)-3-methylbutan-2-yl]-4-[2-(2,4,6-trimethylphenyl)acetyl]benzamide
CID 101424780
1-(4-fluorophenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanone
CID 5206342
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966095
1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 63410206
3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
CID 24726343
4-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzoic acid
CID 70007981
1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116597713

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone (CID 62549306) is 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(CC(=O)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is FHGMQIZEVARNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-11-8-12(2)16(13(3)9-11)10-17(19)14-4-6-15(18)7-5-14/h4-9H,10H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone?
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)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 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 62549306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).