2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene

C19H18O2 — CID 20724518

IUPAC2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene
SMILESCc1ccc(OOCc2ccc3cc(C)ccc3c2)cc1
InChIInChI=1S/C19H18O2/c1-14-4-9-19(10-5-14)21-20-13-16-6-8-17-11-15(2)3-7-18(17)12-16/h3-12H,13H2,1-2H3
InChIKeyPPDODFHSOZSQPR-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.97
Rot. Bonds4

About 2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene

2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene (PubChem CID 20724518) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene.

Molecular Properties

Compound Name2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene
PubChem CID20724518
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene
SMILESCc1ccc(OOCc2ccc3cc(C)ccc3c2)cc1
InChIInChI=1S/C19H18O2/c1-14-4-9-19(10-5-14)21-20-13-16-6-8-17-11-15(2)3-7-18(17)12-16/h3-12H,13H2,1-2H3
InChIKeyPPDODFHSOZSQPR-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.97
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'}

Analyze 2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene 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-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene
CID 58882996
1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene
CID 20753695
2-(butoxymethyl)-6-methylnaphthalene
CID 58718918
ethane;[4-[(4-methylphenyl)peroxymethyl]phenyl] 4-methylbenzoate
CID 91137115
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647
2,6-dimethylnaphthalene;propane
CID 142191183
2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene
CID 142943343
(6-methylnaphthalen-2-yl)methyl cyclopropanecarboxylate
CID 54012844
2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene
CID 90146696
[4-(4-methylphenyl)phenyl] 4-[4-[[4-(4-methylphenyl)phenyl]methylperoxy]phenoxy]benzoate
CID 59372023
2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene
CID 145465634
2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propan-1-amine
CID 116924796

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene?
The IUPAC name of 2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene (CID 20724518) is 2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene.
What is the SMILES notation for 2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene?
The canonical SMILES for 2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene is Cc1ccc(OOCc2ccc3cc(C)ccc3c2)cc1.
What is the InChIKey of 2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene?
The InChIKey is PPDODFHSOZSQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-14-4-9-19(10-5-14)21-20-13-16-6-8-17-11-15(2)3-7-18(17)12-16/h3-12H,13H2,1-2H3.
What are the key properties of 2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene?
2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene has a molecular weight of 278.35 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene is sourced from PubChem (CID 20724518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).