[1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene

C30H30O2 — CID 23018909

IUPAC[1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene
SMILESCC(COOCC(C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30O2/c1-29(25-15-7-3-8-16-25,26-17-9-4-10-18-26)23-31-32-24-30(2,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,23-24H2,1-2H3
InChIKeyZCWMVLIZOORKQS-UHFFFAOYSA-N
MW422.57 g/mol
LogP6.95
Rot. Bonds9

About [1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene

[1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene (PubChem CID 23018909) has the molecular formula C30H30O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is [1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene.

Molecular Properties

Compound Name[1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene
PubChem CID23018909
Molecular FormulaC30H30O2
Molecular Weight422.57 g/mol
Exact Mass422.22
IUPAC Name[1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene
SMILESCC(COOCC(C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30O2/c1-29(25-15-7-3-8-16-25,26-17-9-4-10-18-26)23-31-32-24-30(2,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,23-24H2,1-2H3
InChIKeyZCWMVLIZOORKQS-UHFFFAOYSA-N
XLogP6.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-diphenylpropoxy)ethane-1,1-diol
CID 140983903
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate
CID 141468307
1,1-difluoroethylbenzene
CID 10942535
(4,4-dimethyl-2-phenylhexan-2-yl)benzene
CID 59841354
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
1-methyl-4-(2-phenylbutan-2-yl)benzene
CID 173298051
1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol
CID 13140414
2-hydroperoxybutan-2-ylbenzene
CID 15510207
(1-bromo-2-methoxypropan-2-yl)benzene
CID 14288292
1,3-bis(2-phenylbutan-2-yl)benzene;methane
CID 144908035

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene?
The IUPAC name of [1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene (CID 23018909) is [1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene.
What is the SMILES notation for [1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene?
The canonical SMILES for [1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene is CC(COOCC(C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene?
The InChIKey is ZCWMVLIZOORKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2/c1-29(25-15-7-3-8-16-25,26-17-9-4-10-18-26)23-31-32-24-30(2,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,23-24H2,1-2H3.
What are the key properties of [1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene?
[1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene has a molecular weight of 422.57 g/mol, XLogP of 6.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene is sourced from PubChem (CID 23018909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).