8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione

C13H14O5 — CID 86060896

IUPAC8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione
SMILESCOc1cc(O)c2c(c1C)CC(OC)C(=O)C2=O
InChIInChI=1S/C13H14O5/c1-6-7-4-10(18-3)12(15)13(16)11(7)8(14)5-9(6)17-2/h5,10,14H,4H2,1-3H3
InChIKeyWZWSVOVWKBGGIF-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.03
Rot. Bonds2

About 8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione

8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione (PubChem CID 86060896) has the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol. Its IUPAC name is 8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione.

Molecular Properties

Compound Name8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione
PubChem CID86060896
Molecular FormulaC13H14O5
Molecular Weight250.25 g/mol
Exact Mass250.08
IUPAC Name8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione
SMILESCOc1cc(O)c2c(c1C)CC(OC)C(=O)C2=O
InChIInChI=1S/C13H14O5/c1-6-7-4-10(18-3)12(15)13(16)11(7)8(14)5-9(6)17-2/h5,10,14H,4H2,1-3H3
InChIKeyWZWSVOVWKBGGIF-UHFFFAOYSA-N
XLogP1.03
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione?
The IUPAC name of 8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione (CID 86060896) is 8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione.
What is the SMILES notation for 8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione?
The canonical SMILES for 8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione is COc1cc(O)c2c(c1C)CC(OC)C(=O)C2=O.
What is the InChIKey of 8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione?
The InChIKey is WZWSVOVWKBGGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O5/c1-6-7-4-10(18-3)12(15)13(16)11(7)8(14)5-9(6)17-2/h5,10,14H,4H2,1-3H3.
What are the key properties of 8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione?
8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione has a molecular weight of 250.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3,6-dimethoxy-5-methyl-3,4-dihydronaphthalene-1,2-dione is sourced from PubChem (CID 86060896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).