2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone

C18H18O2 — CID 176753519

IUPAC2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone
SMILESCC(=O)c1ccc(CC(=O)c2c(C)cccc2C)cc1
InChIInChI=1S/C18H18O2/c1-12-5-4-6-13(2)18(12)17(20)11-15-7-9-16(10-8-15)14(3)19/h4-10H,11H2,1-3H3
InChIKeyLZTLHYWCLOKLOD-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.93
Rot. Bonds4

About 2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone

2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone (PubChem CID 176753519) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone
PubChem CID176753519
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone
SMILESCC(=O)c1ccc(CC(=O)c2c(C)cccc2C)cc1
InChIInChI=1S/C18H18O2/c1-12-5-4-6-13(2)18(12)17(20)11-15-7-9-16(10-8-15)14(3)19/h4-10H,11H2,1-3H3
InChIKeyLZTLHYWCLOKLOD-UHFFFAOYSA-N
XLogP3.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone?
The IUPAC name of 2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone (CID 176753519) is 2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone is CC(=O)c1ccc(CC(=O)c2c(C)cccc2C)cc1.
What is the InChIKey of 2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone?
The InChIKey is LZTLHYWCLOKLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12-5-4-6-13(2)18(12)17(20)11-15-7-9-16(10-8-15)14(3)19/h4-10H,11H2,1-3H3.
What are the key properties of 2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone?
2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 176753519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).