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

C22H22O4 — CID 58882996

IUPAC1-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene
SMILESCc1ccc(COOc2ccc(COOc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H22O4/c1-17-3-7-19(8-4-17)15-23-26-22-13-9-20(10-14-22)16-24-25-21-11-5-18(2)6-12-21/h3-14H,15-16H2,1-2H3
InChIKeyHWHSMBKEEFVULW-UHFFFAOYSA-N
MW350.41 g/mol
LogP5.32
Rot. Bonds8

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

1-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene (PubChem CID 58882996) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 1-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene.

Molecular Properties

Compound Name1-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene
PubChem CID58882996
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name1-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene
SMILESCc1ccc(COOc2ccc(COOc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H22O4/c1-17-3-7-19(8-4-17)15-23-26-22-13-9-20(10-14-22)16-24-25-21-11-5-18(2)6-12-21/h3-14H,15-16H2,1-2H3
InChIKeyHWHSMBKEEFVULW-UHFFFAOYSA-N
XLogP5.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 55.32
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'}

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Related Compounds

1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene
CID 20753695
2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene
CID 20724518
ethane;[4-[(4-methylphenyl)peroxymethyl]phenyl] 4-methylbenzoate
CID 91137115
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
[4-(4-methylphenyl)phenyl] 4-[4-[[4-(4-methylphenyl)phenyl]methylperoxy]phenoxy]benzoate
CID 59372023
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
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
(4-methylphenyl)methyl hypochlorite
CID 174764062
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
1-(ethoxymethyl)-4-methylbenzene
CID 12727419

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene?
The IUPAC name of 1-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene (CID 58882996) is 1-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene.
What is the SMILES notation for 1-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene?
The canonical SMILES for 1-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene is Cc1ccc(COOc2ccc(COOc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene?
The InChIKey is HWHSMBKEEFVULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-17-3-7-19(8-4-17)15-23-26-22-13-9-20(10-14-22)16-24-25-21-11-5-18(2)6-12-21/h3-14H,15-16H2,1-2H3.
What are the key properties of 1-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene?
1-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene has a molecular weight of 350.41 g/mol, XLogP of 5.32, 8 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)methylperoxy]phenyl]methylperoxy]benzene is sourced from PubChem (CID 58882996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).