1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one

C20H24O — CID 43337805

IUPAC1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one
SMILESCCC(C)c1ccc(C(=O)C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C20H24O/c1-5-15(2)16-11-13-17(14-12-16)19(21)20(3,4)18-9-7-6-8-10-18/h6-15H,5H2,1-4H3
InChIKeyUGXQPHLHTLYHNL-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.36
Rot. Bonds5

About 1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one

1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one (PubChem CID 43337805) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one
PubChem CID43337805
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one
SMILESCCC(C)c1ccc(C(=O)C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C20H24O/c1-5-15(2)16-11-13-17(14-12-16)19(21)20(3,4)18-9-7-6-8-10-18/h6-15H,5H2,1-4H3
InChIKeyUGXQPHLHTLYHNL-UHFFFAOYSA-N
XLogP5.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butan-2-ylphenyl)-2,2-dimethylbutan-1-one
CID 55195816
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one
CID 43160394
butan-2-ylbenzene;4-butan-2-ylbenzoic acid;tetraethylazanium;chloride
CID 169424823
benzoyl chloride;butan-2-ylbenzene;(4-butan-2-ylphenyl)-phenylmethanone;chloromethane
CID 159084487
1-(4-butan-2-ylphenyl)-2-phenylethane-1,2-dithione
CID 18994097
2-amino-1-(4-butan-2-ylphenyl)propan-1-one
CID 82048669
1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene
CID 59456240
1-(4-butan-2-ylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309340
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
3-(4-butan-2-ylphenyl)-3,3-difluoropropanoic acid
CID 116838338
1-butan-2-yl-4-tert-butylbenzene;2,2-dimethylbutanoic acid
CID 158163672
benzoyl chloride;butan-2-ylbenzene;(4-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 157456534

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one (CID 43337805) is 1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one is CCC(C)c1ccc(C(=O)C(C)(C)c2ccccc2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one?
The InChIKey is UGXQPHLHTLYHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-5-15(2)16-11-13-17(14-12-16)19(21)20(3,4)18-9-7-6-8-10-18/h6-15H,5H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one?
1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one has a molecular weight of 280.41 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 43337805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).