1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene

C15H22O2 — CID 24843348

IUPAC1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
SMILESCC(C)(OO)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H22O2/c1-15(2,17-16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12,16H,3-7H2,1-2H3
InChIKeyBHDKCYXMCCIORU-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.46
Rot. Bonds3

About 1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene

1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene (PubChem CID 24843348) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
PubChem CID24843348
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
SMILESCC(C)(OO)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H22O2/c1-15(2,17-16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12,16H,3-7H2,1-2H3
InChIKeyBHDKCYXMCCIORU-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.46
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'}

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Related Compounds

3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol
CID 116505450
2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464
2-(4-cyclobutylphenyl)-2-hydroxypropanal
CID 116505401
4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol
CID 116505479
1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol
CID 116507022
2-(4-cyclobutylphenyl)-1-cyclopropylpropan-2-ol
CID 116505508
2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol
CID 116507021
2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid
CID 11522654
N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine
CID 115262532
2-(4-cyclobutylphenyl)-4,4-dimethoxybutan-2-ol
CID 116505399

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene?
The IUPAC name of 1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene (CID 24843348) is 1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene.
What is the SMILES notation for 1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene?
The canonical SMILES for 1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene is CC(C)(OO)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene?
The InChIKey is BHDKCYXMCCIORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-15(2,17-16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12,16H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene?
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene has a molecular weight of 234.34 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene is sourced from PubChem (CID 24843348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).