1-(4-cyclobutylphenyl)-2-methylbutan-1-one

C15H20O — CID 116505591

IUPAC1-(4-cyclobutylphenyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C15H20O/c1-3-11(2)15(16)14-9-7-13(8-10-14)12-5-4-6-12/h7-12H,3-6H2,1-2H3
InChIKeySBFKYQVWNIZEHU-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.18
Rot. Bonds4

About 1-(4-cyclobutylphenyl)-2-methylbutan-1-one

1-(4-cyclobutylphenyl)-2-methylbutan-1-one (PubChem CID 116505591) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-methylbutan-1-one
PubChem CID116505591
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-(4-cyclobutylphenyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C15H20O/c1-3-11(2)15(16)14-9-7-13(8-10-14)12-5-4-6-12/h7-12H,3-6H2,1-2H3
InChIKeySBFKYQVWNIZEHU-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzophenone
CID 3102
Acetophenone
CID 7410
Phylloquinone
CID 5284607
Vitamin K
CID 5280483
Menatetrenone
CID 5282367
1-Phenyl-1-propanone
CID 7148
1-Phenyl-1,2-propanedione
CID 11363
Chalcone
CID 637760
4-Ethylbenzaldehyde
CID 20861
Cuminaldehyde
CID 326
Benzil
CID 8651
Benzoylacetone
CID 7166

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-methylbutan-1-one?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-methylbutan-1-one (CID 116505591) is 1-(4-cyclobutylphenyl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-methylbutan-1-one?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-methylbutan-1-one is CCC(C)C(=O)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-methylbutan-1-one?
The InChIKey is SBFKYQVWNIZEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-3-11(2)15(16)14-9-7-13(8-10-14)12-5-4-6-12/h7-12H,3-6H2,1-2H3.
What are the key properties of 1-(4-cyclobutylphenyl)-2-methylbutan-1-one?
1-(4-cyclobutylphenyl)-2-methylbutan-1-one has a molecular weight of 216.32 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-methylbutan-1-one is sourced from PubChem (CID 116505591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).