1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene

C13H18O3 — CID 54175180

IUPAC1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOOCc1ccc2c(c1)CCCC2OC
InChIInChI=1S/C13H18O3/c1-14-13-5-3-4-11-8-10(9-16-15-2)6-7-12(11)13/h6-8,13H,3-5,9H2,1-2H3
InChIKeyOXULFXIGYFVAHO-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.79
Rot. Bonds4

About 1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene

1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 54175180) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID54175180
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOOCc1ccc2c(c1)CCCC2OC
InChIInChI=1S/C13H18O3/c1-14-13-5-3-4-11-8-10(9-16-15-2)6-7-12(11)13/h6-8,13H,3-5,9H2,1-2H3
InChIKeyOXULFXIGYFVAHO-UHFFFAOYSA-N
XLogP2.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene 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

5-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105437541
(1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene
CID 176929623
S-[2-[4-[2-(5-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]sulfanylphenyl]-2-oxoethyl] ethanethioate
CID 143157639
1-methoxy-5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 155221844
5-(methoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105446165
1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 167462559
1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine
CID 89234319
[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate
CID 90842495
4-methoxy-2-propyl-4,5,6,7-tetrahydro-1-benzofuran
CID 102384281
5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 162650948
(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate
CID 58030996
methyl 2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
CID 57135196

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene (CID 54175180) is 1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene is COOCc1ccc2c(c1)CCCC2OC.
What is the InChIKey of 1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OXULFXIGYFVAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-14-13-5-3-4-11-8-10(9-16-15-2)6-7-12(11)13/h6-8,13H,3-5,9H2,1-2H3.
What are the key properties of 1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene?
1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 222.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-(methylperoxymethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 54175180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).