1-(4-ethylphenyl)propan-1-one

C11H14O — CID 583750

IUPAC1-(4-ethylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(CC)cc1
InChIInChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3
InChIKeyVGQRIILEZYZAOE-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.84
Rot. Bonds3

About 1-(4-ethylphenyl)propan-1-one

1-(4-ethylphenyl)propan-1-one (PubChem CID 583750) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-(4-ethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)propan-1-one
PubChem CID583750
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-(4-ethylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(CC)cc1
InChIInChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3
InChIKeyVGQRIILEZYZAOE-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)propan-1-one?
The IUPAC name of 1-(4-ethylphenyl)propan-1-one (CID 583750) is 1-(4-ethylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)propan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)propan-1-one is CCC(=O)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)propan-1-one?
The InChIKey is VGQRIILEZYZAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)propan-1-one?
1-(4-ethylphenyl)propan-1-one has a molecular weight of 162.23 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)propan-1-one is sourced from PubChem (CID 583750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).