1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane

C17H22O7 — CID 174728392

IUPAC1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane
SMILESCOOC.COc1ccc(OC)c2c(O)c(C(C)=O)cc(OC)c12
InChIInChI=1S/C15H16O5.C2H6O2/c1-8(16)9-7-12(20-4)13-10(18-2)5-6-11(19-3)14(13)15(9)17;1-3-4-2/h5-7,17H,1-4H3;1-2H3
InChIKeyOZSIWYQYVGAFSY-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.97
Rot. Bonds5

About 1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane

1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane (PubChem CID 174728392) has the molecular formula C17H22O7 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane.

Molecular Properties

Compound Name1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane
PubChem CID174728392
Molecular FormulaC17H22O7
Molecular Weight338.36 g/mol
Exact Mass338.14
IUPAC Name1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane
SMILESCOOC.COc1ccc(OC)c2c(O)c(C(C)=O)cc(OC)c12
InChIInChI=1S/C15H16O5.C2H6O2/c1-8(16)9-7-12(20-4)13-10(18-2)5-6-11(19-3)14(13)15(9)17;1-3-4-2/h5-7,17H,1-4H3;1-2H3
InChIKeyOZSIWYQYVGAFSY-UHFFFAOYSA-N
XLogP2.97
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane 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

(3-acetyl-4-hydroxy-8-methoxynaphthalen-1-yl) acetate
CID 162747341
1,4,5,8-tetramethoxynaphthalene-2-carboxamide
CID 15362247
1-(1,4-dihydroxy-5,8-dimethoxynaphthalen-2-yl)-4-methylpent-3-en-1-one
CID 11220805
1,4,5,8-tetramethoxynaphthalene
CID 10220551
1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone
CID 131302310
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
(2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate
CID 11509078
1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone
CID 11333653
methyl 2-acetyl-4-hydroxy-5-methoxybenzoate
CID 58345568
4-acetyl-3-methoxybenzaldehyde
CID 14123550
methyl 3-acetyl-4-methoxybenzoate
CID 10798398

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane?
The IUPAC name of 1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane (CID 174728392) is 1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane.
What is the SMILES notation for 1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane?
The canonical SMILES for 1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane is COOC.COc1ccc(OC)c2c(O)c(C(C)=O)cc(OC)c12.
What is the InChIKey of 1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane?
The InChIKey is OZSIWYQYVGAFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5.C2H6O2/c1-8(16)9-7-12(20-4)13-10(18-2)5-6-11(19-3)14(13)15(9)17;1-3-4-2/h5-7,17H,1-4H3;1-2H3.
What are the key properties of 1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane?
1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane has a molecular weight of 338.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4,5,8-trimethoxynaphthalen-2-yl)ethanone;methylperoxymethane is sourced from PubChem (CID 174728392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).