8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione

C11H10O4 — CID 15955456

IUPAC8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione
SMILESCOC1CC(=O)c2cccc(O)c2C1=O
InChIInChI=1S/C11H10O4/c1-15-9-5-8(13)6-3-2-4-7(12)10(6)11(9)14/h2-4,9,12H,5H2,1H3
InChIKeyULAROCWMCVXXFE-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.18
Rot. Bonds1

About 8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione

8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione (PubChem CID 15955456) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione.

Molecular Properties

Compound Name8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione
PubChem CID15955456
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione
SMILESCOC1CC(=O)c2cccc(O)c2C1=O
InChIInChI=1S/C11H10O4/c1-15-9-5-8(13)6-3-2-4-7(12)10(6)11(9)14/h2-4,9,12H,5H2,1H3
InChIKeyULAROCWMCVXXFE-UHFFFAOYSA-N
XLogP1.18
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione?
The IUPAC name of 8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione (CID 15955456) is 8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione.
What is the SMILES notation for 8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione?
The canonical SMILES for 8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione is COC1CC(=O)c2cccc(O)c2C1=O.
What is the InChIKey of 8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione?
The InChIKey is ULAROCWMCVXXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-15-9-5-8(13)6-3-2-4-7(12)10(6)11(9)14/h2-4,9,12H,5H2,1H3.
What are the key properties of 8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione?
8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione has a molecular weight of 206.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione is sourced from PubChem (CID 15955456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).