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

C11H14O — CID 16504

IUPAC1-(2-propan-2-ylphenyl)ethanone
SMILESCC(=O)c1ccccc1C(C)C
InChIInChI=1S/C11H14O/c1-8(2)10-6-4-5-7-11(10)9(3)12/h4-8H,1-3H3
InChIKeyYKILJGWOUPELQS-UHFFFAOYSA-N
MW162.23 g/mol
LogP3.01
Rot. Bonds2

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

1-(2-propan-2-ylphenyl)ethanone (PubChem CID 16504) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-propan-2-ylphenyl)ethanone
PubChem CID16504
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-(2-propan-2-ylphenyl)ethanone
SMILESCC(=O)c1ccccc1C(C)C
InChIInChI=1S/C11H14O/c1-8(2)10-6-4-5-7-11(10)9(3)12/h4-8H,1-3H3
InChIKeyYKILJGWOUPELQS-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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Related Compounds

1,4-Naphthoquinone
CID 8530
Benzophenone
CID 3102
Menadione
CID 4055
Acetophenone
CID 7410
Phylloquinone
CID 5284607
Anthraquinone
CID 6780
Phthalaldehyde
CID 4807
Vitamin K
CID 5280483
Menatetrenone
CID 5282367
1,2-Naphthoquinone
CID 10667
Phenindione
CID 4760
9,10-Phenanthrenedione
CID 6763

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(2-propan-2-ylphenyl)ethanone (CID 16504) is 1-(2-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(2-propan-2-ylphenyl)ethanone is CC(=O)c1ccccc1C(C)C.
What is the InChIKey of 1-(2-propan-2-ylphenyl)ethanone?
The InChIKey is YKILJGWOUPELQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-8(2)10-6-4-5-7-11(10)9(3)12/h4-8H,1-3H3.
What are the key properties of 1-(2-propan-2-ylphenyl)ethanone?
1-(2-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-(2-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 16504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).