(2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene

C16H24O2 — CID 88847490

IUPAC(2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene
SMILESCC(C)C1CCC(C)(c2ccccc2)C(OO)C1
InChIInChI=1S/C16H24O2/c1-12(2)13-9-10-16(3,15(11-13)18-17)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11H2,1-3H3
InChIKeyMLJNRHHDJKRKDQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.26
Rot. Bonds3

About (2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene

(2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene (PubChem CID 88847490) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene.

Molecular Properties

Compound Name(2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene
PubChem CID88847490
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene
SMILESCC(C)C1CCC(C)(c2ccccc2)C(OO)C1
InChIInChI=1S/C16H24O2/c1-12(2)13-9-10-16(3,15(11-13)18-17)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11H2,1-3H3
InChIKeyMLJNRHHDJKRKDQ-UHFFFAOYSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.26
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 (2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene with MolForge

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

Launch Full Analysis

Related Compounds

1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene
CID 167011620
benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium
CID 54447227
1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090264
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
benzyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium chloride
CID 159798773
(1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine
CID 131031779
3-methyl-1-(1-phenylcyclopentyl)butan-1-amine
CID 63080300
[(1S,2S,5R)-2-azido-2-methyl-5-propan-2-ylcyclohexyl]selanylbenzene
CID 101443434
1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine
CID 79574267
[1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol
CID 62704863
1-(2-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65017177
[(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene
CID 101173949

Frequently Asked Questions

What is the IUPAC name of (2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene?
The IUPAC name of (2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene (CID 88847490) is (2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene.
What is the SMILES notation for (2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene?
The canonical SMILES for (2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene is CC(C)C1CCC(C)(c2ccccc2)C(OO)C1.
What is the InChIKey of (2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene?
The InChIKey is MLJNRHHDJKRKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12(2)13-9-10-16(3,15(11-13)18-17)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9-11H2,1-3H3.
What are the key properties of (2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene?
(2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene has a molecular weight of 248.37 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene is sourced from PubChem (CID 88847490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).