1-(4,5-diethyl-2-methylphenyl)ethanone

C13H18O — CID 18705096

IUPAC1-(4,5-diethyl-2-methylphenyl)ethanone
SMILESCCc1cc(C)c(C(C)=O)cc1CC
InChIInChI=1S/C13H18O/c1-5-11-7-9(3)13(10(4)14)8-12(11)6-2/h7-8H,5-6H2,1-4H3
InChIKeyMHLDQBOKKRJKPP-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.32
Rot. Bonds3

About 1-(4,5-diethyl-2-methylphenyl)ethanone

1-(4,5-diethyl-2-methylphenyl)ethanone (PubChem CID 18705096) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(4,5-diethyl-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4,5-diethyl-2-methylphenyl)ethanone
PubChem CID18705096
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-(4,5-diethyl-2-methylphenyl)ethanone
SMILESCCc1cc(C)c(C(C)=O)cc1CC
InChIInChI=1S/C13H18O/c1-5-11-7-9(3)13(10(4)14)8-12(11)6-2/h7-8H,5-6H2,1-4H3
InChIKeyMHLDQBOKKRJKPP-UHFFFAOYSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diethyl-2-methylphenyl)ethanone?
The IUPAC name of 1-(4,5-diethyl-2-methylphenyl)ethanone (CID 18705096) is 1-(4,5-diethyl-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(4,5-diethyl-2-methylphenyl)ethanone?
The canonical SMILES for 1-(4,5-diethyl-2-methylphenyl)ethanone is CCc1cc(C)c(C(C)=O)cc1CC.
What is the InChIKey of 1-(4,5-diethyl-2-methylphenyl)ethanone?
The InChIKey is MHLDQBOKKRJKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-5-11-7-9(3)13(10(4)14)8-12(11)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-(4,5-diethyl-2-methylphenyl)ethanone?
1-(4,5-diethyl-2-methylphenyl)ethanone has a molecular weight of 190.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diethyl-2-methylphenyl)ethanone is sourced from PubChem (CID 18705096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).