1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one

C16H24O — CID 23071301

IUPAC1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C16H24O/c1-15(2,3)11-14(17)12-9-7-8-10-13(12)16(4,5)6/h7-10H,11H2,1-6H3
InChIKeyLVRPOXOXSAHUCA-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.60
Rot. Bonds2

About 1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one

1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one (PubChem CID 23071301) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one
PubChem CID23071301
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C16H24O/c1-15(2,3)11-14(17)12-9-7-8-10-13(12)16(4,5)6/h7-10H,11H2,1-6H3
InChIKeyLVRPOXOXSAHUCA-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-tert-butylphenyl)-4,4-dimethylpentan-1-one
CID 114970099
1-(2-tert-butylphenyl)-3-methylbutan-1-one
CID 114962409
1-(2-bromophenyl)-3,3-dimethylbutan-1-one
CID 71135058
1-(2-tert-butylphenyl)-2-(4-iodophenyl)ethanone
CID 114974201
bis(2-tert-butylbenzoate);cadmium(2+)
CID 71436894
2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031297
(2-tert-butylphenyl)-(2-chlorophenyl)methanone
CID 14145194
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)ethanone
CID 114969828
1-(4-tert-butyl-2-methylphenyl)-3,3-dimethylbutan-1-one
CID 82498362
1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114979035
2-tert-butyl-N'-(2-hydroxybenzoyl)benzohydrazide
CID 66844777
1-[2-(2-hydroxypropan-2-yl)phenyl]butan-1-one
CID 175087395

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one (CID 23071301) is 1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one?
The InChIKey is LVRPOXOXSAHUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-15(2,3)11-14(17)12-9-7-8-10-13(12)16(4,5)6/h7-10H,11H2,1-6H3.
What are the key properties of 1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one?
1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one has a molecular weight of 232.37 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 23071301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).