2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone

C18H20O — CID 114963222

IUPAC2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone
SMILESCCc1ccccc1C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C18H20O/c1-4-16-7-5-6-8-17(16)18(19)12-15-10-13(2)9-14(3)11-15/h5-11H,4,12H2,1-3H3
InChIKeyLASHLNFIYSDAAX-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.29
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone

2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone (PubChem CID 114963222) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone
PubChem CID114963222
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone
SMILESCCc1ccccc1C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C18H20O/c1-4-16-7-5-6-8-17(16)18(19)12-15-10-13(2)9-14(3)11-15/h5-11H,4,12H2,1-3H3
InChIKeyLASHLNFIYSDAAX-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-Naphthoquinone
CID 8530
Benzophenone
CID 3102
Menadione
CID 4055
Acetophenone
CID 7410
Phylloquinone
CID 5284607
Anthraquinone
CID 6780
Vitamin K
CID 5280483
1,2-Naphthoquinone
CID 10667
Menatetrenone
CID 5282367
9,10-Phenanthrenedione
CID 6763
1-Phenyl-1-propanone
CID 7148
1-Phenyl-1,2-propanedione
CID 11363

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone (CID 114963222) is 2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone is CCc1ccccc1C(=O)Cc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone?
The InChIKey is LASHLNFIYSDAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-4-16-7-5-6-8-17(16)18(19)12-15-10-13(2)9-14(3)11-15/h5-11H,4,12H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone?
2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone has a molecular weight of 252.36 g/mol, XLogP of 4.29, 4 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-(2-ethylphenyl)ethanone is sourced from PubChem (CID 114963222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).