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

C15H26O — CID 143075063

IUPACethane;1-(4-propan-2-ylphenyl)ethanone
SMILESCC.CC.CC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C11H14O.2C2H6/c1-8(2)10-4-6-11(7-5-10)9(3)12;2*1-2/h4-8H,1-3H3;2*1-2H3
InChIKeyGQWZJFNXWUOVGP-UHFFFAOYSA-N
MW222.37 g/mol
LogP5.07
Rot. Bonds2

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

ethane;1-(4-propan-2-ylphenyl)ethanone (PubChem CID 143075063) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is ethane;1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-propan-2-ylphenyl)ethanone
PubChem CID143075063
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Nameethane;1-(4-propan-2-ylphenyl)ethanone
SMILESCC.CC.CC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C11H14O.2C2H6/c1-8(2)10-4-6-11(7-5-10)9(3)12;2*1-2/h4-8H,1-3H3;2*1-2H3
InChIKeyGQWZJFNXWUOVGP-UHFFFAOYSA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.37
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 28524219
1-[4-(1-aminoethyl)phenyl]ethanone
CID 45086260
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715
1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone
CID 4017717
1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone
CID 159128933
copper 4-propan-2-ylbenzoic acid
CID 54605006
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
1-(4-acetylphenyl)ethanone;methane
CID 159515104
2-(4-acetylphenyl)propanethioic S-acid
CID 87997644
1-[4-(1-methoxyethyl)phenyl]ethanone
CID 12735290
lithium 4-propan-2-ylbenzoate
CID 58547643
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of ethane;1-(4-propan-2-ylphenyl)ethanone (CID 143075063) is ethane;1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for ethane;1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for ethane;1-(4-propan-2-ylphenyl)ethanone is CC.CC.CC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of ethane;1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is GQWZJFNXWUOVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.2C2H6/c1-8(2)10-4-6-11(7-5-10)9(3)12;2*1-2/h4-8H,1-3H3;2*1-2H3.
What are the key properties of ethane;1-(4-propan-2-ylphenyl)ethanone?
ethane;1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 222.37 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 143075063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).