1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone

C15H18O3 — CID 13170022

IUPAC1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone
SMILESCCc1cc(C(C)=O)c(C(C)=O)c(C)c1C(C)=O
InChIInChI=1S/C15H18O3/c1-6-12-7-13(9(3)16)15(11(5)18)8(2)14(12)10(4)17/h7H,6H2,1-5H3
InChIKeyPVOGLCKLVSPEJL-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.17
Rot. Bonds4

About 1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone

1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone (PubChem CID 13170022) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone
PubChem CID13170022
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone
SMILESCCc1cc(C(C)=O)c(C(C)=O)c(C)c1C(C)=O
InChIInChI=1S/C15H18O3/c1-6-12-7-13(9(3)16)15(11(5)18)8(2)14(12)10(4)17/h7H,6H2,1-5H3
InChIKeyPVOGLCKLVSPEJL-UHFFFAOYSA-N
XLogP3.17
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone?
The IUPAC name of 1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone (CID 13170022) is 1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone.
What is the SMILES notation for 1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone?
The canonical SMILES for 1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone is CCc1cc(C(C)=O)c(C(C)=O)c(C)c1C(C)=O.
What is the InChIKey of 1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone?
The InChIKey is PVOGLCKLVSPEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-6-12-7-13(9(3)16)15(11(5)18)8(2)14(12)10(4)17/h7H,6H2,1-5H3.
What are the key properties of 1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone?
1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone has a molecular weight of 246.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone is sourced from PubChem (CID 13170022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).