1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one

C16H24O — CID 43160225

IUPAC1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C16H24O/c1-10(2)13-7-8-14(16(17)12(5)6)15(9-13)11(3)4/h7-12H,1-6H3
InChIKeyDXTXSAXMZUOUPQ-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.77
Rot. Bonds4

About 1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one

1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one (PubChem CID 43160225) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one
PubChem CID43160225
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C16H24O/c1-10(2)13-7-8-14(16(17)12(5)6)15(9-13)11(3)4/h7-12H,1-6H3
InChIKeyDXTXSAXMZUOUPQ-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone
CID 22770095
1-(2-chloro-4-propan-2-ylphenyl)-2-methylpropan-1-one
CID 163264575
[2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone
CID 63492494
1-[2,4-di(propan-2-yl)phenyl]hexan-1-one
CID 43338073
4-[2,4-di(propan-2-yl)phenyl]-2,2-dimethyl-4-oxobutanoic acid
CID 65298257
1-[2,4-di(propan-2-yl)phenyl]octan-1-one
CID 63492659
[(2S)-1-[2,4-di(propan-2-yl)phenyl]-1-oxopropan-2-yl] 4-(dimethylamino)benzoate
CID 2104127
2,5-di(propan-2-yl)benzoyl fluoride
CID 45081927
2,4-di(propan-2-yl)phenol
CID 18048
2-tert-butyl-4-propan-2-ylbenzoic acid
CID 70422407
2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid
CID 117345122
(5-bromo-3-pyridinyl)-[2,4-di(propan-2-yl)phenyl]methanone
CID 43338072

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one (CID 43160225) is 1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one is CC(C)C(=O)c1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of 1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one?
The InChIKey is DXTXSAXMZUOUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-10(2)13-7-8-14(16(17)12(5)6)15(9-13)11(3)4/h7-12H,1-6H3.
What are the key properties of 1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one?
1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one has a molecular weight of 232.37 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 43160225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).