1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene

C21H20O2 — CID 20753695

IUPAC1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene
SMILESCc1ccc(OOCc2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C21H20O2/c1-16-3-9-19(10-4-16)20-11-7-18(8-12-20)15-22-23-21-13-5-17(2)6-14-21/h3-14H,15H2,1-2H3
InChIKeyIAPAXUAWBFHXLJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.48
Rot. Bonds5

About 1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene

1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene (PubChem CID 20753695) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene
PubChem CID20753695
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene
SMILESCc1ccc(OOCc2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C21H20O2/c1-16-3-9-19(10-4-16)20-11-7-18(8-12-20)15-22-23-21-13-5-17(2)6-14-21/h3-14H,15H2,1-2H3
InChIKeyIAPAXUAWBFHXLJ-UHFFFAOYSA-N
XLogP5.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.48
H-Bond Donors ≤ 50
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

1-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene
CID 58882996
2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene
CID 20724518
[4-(4-methylphenyl)phenyl] 4-[4-[[4-(4-methylphenyl)phenyl]methylperoxy]phenoxy]benzoate
CID 59372023
ethane;[4-[(4-methylphenyl)peroxymethyl]phenyl] 4-methylbenzoate
CID 91137115
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1-(hydroperoxymethyl)-4-(4-methylphenyl)benzene
CID 20677048
1,4-bis[2-(4-methylphenyl)ethyl]benzene;ethane;1-methyl-4-[[4-[2-(4-methylphenyl)ethynyl]phenyl]peroxymethyl]benzene;[4-(4-methylphenoxy)carbonylphenyl] 4-methylbenzoate
CID 159709654
[4-(4-methylphenyl)phenoxy]methanamine
CID 148562944
[4-(4-methylphenyl)phenyl]methyl cyanate
CID 170032720
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
(4-methylphenyl)methyl hypochlorite
CID 174764062
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene?
The IUPAC name of 1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene (CID 20753695) is 1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene is Cc1ccc(OOCc2ccc(-c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene?
The InChIKey is IAPAXUAWBFHXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-16-3-9-19(10-4-16)20-11-7-18(8-12-20)15-22-23-21-13-5-17(2)6-14-21/h3-14H,15H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene?
1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene has a molecular weight of 304.39 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene is sourced from PubChem (CID 20753695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).