2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one

C15H22O — CID 62678406

IUPAC2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one
SMILESCCC(C)(C)C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H22O/c1-6-15(4,5)14(16)13-9-7-12(8-10-13)11(2)3/h7-11H,6H2,1-5H3
InChIKeyTWGJKHCOINWVLT-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.43
Rot. Bonds4

About 2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one

2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one (PubChem CID 62678406) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one
PubChem CID62678406
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one
SMILESCCC(C)(C)C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H22O/c1-6-15(4,5)14(16)13-9-7-12(8-10-13)11(2)3/h7-11H,6H2,1-5H3
InChIKeyTWGJKHCOINWVLT-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.43
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-(3,4-dichlorophenyl)-2,2-dimethylbutan-1-one
CID 24724058
2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone
CID 91636257
copper 4-propan-2-ylbenzoic acid
CID 54605006
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-one
CID 146008885
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
2-methyl-1-(4-propan-2-ylphenyl)butane-1,2-diol
CID 103448542
4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)benzoic acid
CID 139957756
pentane-2,4-diol;bis(4-propan-2-ylbenzoic acid)
CID 66727844
2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-propan-2-ylphenyl)pentan-1-one
CID 146007209
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one (CID 62678406) is 2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one is CCC(C)(C)C(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one?
The InChIKey is TWGJKHCOINWVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-6-15(4,5)14(16)13-9-7-12(8-10-13)11(2)3/h7-11H,6H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one?
2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one has a molecular weight of 218.34 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one is sourced from PubChem (CID 62678406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).