1-(4-propan-2-ylphenyl)ethanone

C11H14O — CID 12578

IUPAC1-(4-propan-2-ylphenyl)ethanone
SMILESCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3
InChIKeyPDLCCNYKIIUWHA-UHFFFAOYSA-N
MW162.23 g/mol
LogP3.01
Rot. Bonds2

About 1-(4-propan-2-ylphenyl)ethanone

1-(4-propan-2-ylphenyl)ethanone (PubChem CID 12578) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)ethanone
PubChem CID12578
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-(4-propan-2-ylphenyl)ethanone
SMILESCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3
InChIKeyPDLCCNYKIIUWHA-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(4-propan-2-ylphenyl)ethanone (CID 12578) is 1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(4-propan-2-ylphenyl)ethanone is CC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is PDLCCNYKIIUWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3.
What are the key properties of 1-(4-propan-2-ylphenyl)ethanone?
1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 162.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 12578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).