4,4-dimethyl-1,2-diphenylpentan-1-one

C19H22O — CID 78133328

IUPAC4,4-dimethyl-1,2-diphenylpentan-1-one
SMILESCC(C)(C)CC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O/c1-19(2,3)14-17(15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyURXPJZVYBKRBFG-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.09
Rot. Bonds4

About 4,4-dimethyl-1,2-diphenylpentan-1-one

4,4-dimethyl-1,2-diphenylpentan-1-one (PubChem CID 78133328) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 4,4-dimethyl-1,2-diphenylpentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-1,2-diphenylpentan-1-one
PubChem CID78133328
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name4,4-dimethyl-1,2-diphenylpentan-1-one
SMILESCC(C)(C)CC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O/c1-19(2,3)14-17(15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyURXPJZVYBKRBFG-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-diphenylpentane-1,4-dione
CID 13184730
dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium
CID 6947215
ethyl 2,2-difluoro-5-oxo-4,5-diphenylpentanoate
CID 164684537
dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride
CID 10979125
4-fluoro-1,2-diphenylbutan-1-one
CID 174928566
(2S)-4,4,4-trifluoro-1-(4-methoxyphenyl)-2-phenylbutan-1-one
CID 129404550
1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one
CID 135032816
1,2,5,5-tetraphenylpentane-1,4-dione
CID 134096157
4,4,5,5,6,6,7,7,7-nonafluoro-2-(4-methylphenyl)-1-phenylheptan-1-one
CID 165389851
2-[(3-carboxy-3-phenylpropyl)amino]-4,4-dimethylpentanoic acid
CID 70072802
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
1-(4-iodophenyl)-2-phenylbutan-1-one
CID 11772471

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,2-diphenylpentan-1-one?
The IUPAC name of 4,4-dimethyl-1,2-diphenylpentan-1-one (CID 78133328) is 4,4-dimethyl-1,2-diphenylpentan-1-one.
What is the SMILES notation for 4,4-dimethyl-1,2-diphenylpentan-1-one?
The canonical SMILES for 4,4-dimethyl-1,2-diphenylpentan-1-one is CC(C)(C)CC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4-dimethyl-1,2-diphenylpentan-1-one?
The InChIKey is URXPJZVYBKRBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-19(2,3)14-17(15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3.
What are the key properties of 4,4-dimethyl-1,2-diphenylpentan-1-one?
4,4-dimethyl-1,2-diphenylpentan-1-one has a molecular weight of 266.38 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,2-diphenylpentan-1-one is sourced from PubChem (CID 78133328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).