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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Related Compounds

5-hydroxy-2-methyl-2,3-dihydronaphthalene-1,4-dione
CID 14412241
5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione
CID 139635069
2-(2-methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione
CID 69193814
(10S,11R)-7,10,15,19-tetrahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3(8),4,6,12(20),13,15-heptaene-9,17-dione
CID 156581539
(3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 139122410
4-hydroxy-2-prop-1-ynoxyindene-1,3-dione
CID 139637968
8-hydroxy-2-methoxynaphthalene-1,4-dione
CID 609303
8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 130036440
(1S,9S,10S,11S,20R)-9-chloro-6,10-dihydroxy-20-methoxy-2,12,21-trioxahexacyclo[9.9.1.11,13.13,7.011,23.017,22]tricosa-3(23),4,6,13,15,17(22)-hexaene-8,18-dione
CID 132522276
(4-hydroxy-1,3-dioxoinden-2-yl) 2-methylpropanoate
CID 139638136
(2-methyl-1-oxo-2,3-dihydroinden-4-yl) acetate
CID 22173228
8-bromo-3-methoxy-2,3-dihydrochromen-4-one
CID 130039350

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).