1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene

C18H22O2 — CID 11832477

IUPAC1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene
SMILESCC(C)c1ccc(-c2ccc(C(C)(C)OO)cc2)cc1
InChIInChI=1S/C18H22O2/c1-13(2)14-5-7-15(8-6-14)16-9-11-17(12-10-16)18(3,4)20-19/h5-13,19H,1-4H3
InChIKeyZONCLJGMXBCJJK-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.20
Rot. Bonds4

About 1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene

1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene (PubChem CID 11832477) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene
PubChem CID11832477
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene
SMILESCC(C)c1ccc(-c2ccc(C(C)(C)OO)cc2)cc1
InChIInChI=1S/C18H22O2/c1-13(2)14-5-7-15(8-6-14)16-9-11-17(12-10-16)18(3,4)20-19/h5-13,19H,1-4H3
InChIKeyZONCLJGMXBCJJK-UHFFFAOYSA-N
XLogP5.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.37
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene?
The IUPAC name of 1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene (CID 11832477) is 1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene is CC(C)c1ccc(-c2ccc(C(C)(C)OO)cc2)cc1.
What is the InChIKey of 1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene?
The InChIKey is ZONCLJGMXBCJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13(2)14-5-7-15(8-6-14)16-9-11-17(12-10-16)18(3,4)20-19/h5-13,19H,1-4H3.
What are the key properties of 1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene?
1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene has a molecular weight of 270.37 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroperoxypropan-2-yl)-4-(4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 11832477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).