1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene

C20H24O4 — CID 163551775

IUPAC1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene
SMILESCc1ccc(OOC2CCC(OOc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H24O4/c1-15-3-7-17(8-4-15)21-23-19-11-13-20(14-12-19)24-22-18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3
InChIKeyFJRNDROWSAFYDS-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.94
Rot. Bonds6

About 1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene

1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene (PubChem CID 163551775) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene.

Molecular Properties

Compound Name1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene
PubChem CID163551775
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene
SMILESCc1ccc(OOC2CCC(OOc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H24O4/c1-15-3-7-17(8-4-15)21-23-19-11-13-20(14-12-19)24-22-18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3
InChIKeyFJRNDROWSAFYDS-UHFFFAOYSA-N
XLogP4.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene 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-(2-cyclopropyloxyethoxy)-4-methylbenzene
CID 153135187
1-[4-(4-aminoiodanuidylperoxyphenyl)peroxycyclohexyl]peroxy-4-hydroperoxybenzene
CID 163874821
(1S)-1-methyl-4-(4-methylphenoxy)cycloheptane
CID 142216583
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene
CID 21359829
3-(4-methylphenoxy)pyrrolidine
CID 18337173
[(4-cyclopropyloxyphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194287
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-methyl-4-(4-pentylcyclohexyl)oxybenzene
CID 20667925
(3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide
CID 7102407
1-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene
CID 58882996
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene?
The IUPAC name of 1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene (CID 163551775) is 1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene.
What is the SMILES notation for 1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene?
The canonical SMILES for 1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene is Cc1ccc(OOC2CCC(OOc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene?
The InChIKey is FJRNDROWSAFYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-15-3-7-17(8-4-15)21-23-19-11-13-20(14-12-19)24-22-18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene?
1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene has a molecular weight of 328.41 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(4-methylphenyl)peroxycyclohexyl]peroxybenzene is sourced from PubChem (CID 163551775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).