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

C17H16ClFO — CID 63410206

IUPAC1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)c2ccc(Cl)cc2F)c(C)c1
InChIInChI=1S/C17H16ClFO/c1-10-6-11(2)15(12(3)7-10)9-17(20)14-5-4-13(18)8-16(14)19/h4-8H,9H2,1-3H3
InChIKeyQLGGXAUMWXKMOF-UHFFFAOYSA-N
MW290.76 g/mol
LogP4.83
Rot. Bonds3

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

1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 63410206) has the molecular formula C17H16ClFO and a molecular weight of 290.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
PubChem CID63410206
Molecular FormulaC17H16ClFO
Molecular Weight290.76 g/mol
Exact Mass290.09
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)c2ccc(Cl)cc2F)c(C)c1
InChIInChI=1S/C17H16ClFO/c1-10-6-11(2)15(12(3)7-10)9-17(20)14-5-4-13(18)8-16(14)19/h4-8H,9H2,1-3H3
InChIKeyQLGGXAUMWXKMOF-UHFFFAOYSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.76
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966095
2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115792574
1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116597713
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123
1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792475
2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 63081738
2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
CID 43337883
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 62549306
2-(2,6-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 115792624
methyl 4-(4-chloro-2-fluorophenyl)-4-oxobutanoate
CID 114859571

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone (CID 63410206) is 1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(CC(=O)c2ccc(Cl)cc2F)c(C)c1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is QLGGXAUMWXKMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO/c1-10-6-11(2)15(12(3)7-10)9-17(20)14-5-4-13(18)8-16(14)19/h4-8H,9H2,1-3H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone?
1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 290.76 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 63410206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).