1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one

C15H20O — CID 114601747

IUPAC1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccccc1C1CCC1
InChIInChI=1S/C15H20O/c1-15(2,3)14(16)13-10-5-4-9-12(13)11-7-6-8-11/h4-5,9-11H,6-8H2,1-3H3
InChIKeyTXFGBHDUUSBMMQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.18
Rot. Bonds2

About 1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one

1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one (PubChem CID 114601747) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one
PubChem CID114601747
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccccc1C1CCC1
InChIInChI=1S/C15H20O/c1-15(2,3)14(16)13-10-5-4-9-12(13)11-7-6-8-11/h4-5,9-11H,6-8H2,1-3H3
InChIKeyTXFGBHDUUSBMMQ-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 114601958
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone
CID 114602016
1-(2-cyclobutylphenyl)-3,4,4-trimethylpentan-1-one
CID 115813607
1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one
CID 114601765
ethyl 2-cyclobutylbenzoate
CID 106942755
(2-cyclohexylphenyl)-(2-methylphenyl)methanone
CID 86030332
2-amino-1-(2-cyclobutylphenyl)butan-1-one
CID 114607633
(2-cyclobutylphenyl)-pyrimidin-2-ylmethanone
CID 114601750
(2-cyclobutylphenyl)-(4-methoxyphenyl)methanone
CID 114601682
1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone
CID 114601876
(2-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone
CID 114602101
(2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate
CID 88809968

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one (CID 114601747) is 1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one?
The InChIKey is TXFGBHDUUSBMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-15(2,3)14(16)13-10-5-4-9-12(13)11-7-6-8-11/h4-5,9-11H,6-8H2,1-3H3.
What are the key properties of 1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one?
1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one has a molecular weight of 216.32 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 114601747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).