2-methoxy-5,8-dihydronaphthalene-1,4-diol

C11H12O3 — CID 5315063

IUPAC2-methoxy-5,8-dihydronaphthalene-1,4-diol
SMILESCOc1cc(O)c2c(c1O)CC=CC2
InChIInChI=1S/C11H12O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-3,6,12-13H,4-5H2,1H3
InChIKeyFPMZXYLNPJRIRJ-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.76
Rot. Bonds1

About 2-methoxy-5,8-dihydronaphthalene-1,4-diol

2-methoxy-5,8-dihydronaphthalene-1,4-diol (PubChem CID 5315063) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-methoxy-5,8-dihydronaphthalene-1,4-diol.

Molecular Properties

Compound Name2-methoxy-5,8-dihydronaphthalene-1,4-diol
PubChem CID5315063
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-methoxy-5,8-dihydronaphthalene-1,4-diol
SMILESCOc1cc(O)c2c(c1O)CC=CC2
InChIInChI=1S/C11H12O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-3,6,12-13H,4-5H2,1H3
InChIKeyFPMZXYLNPJRIRJ-UHFFFAOYSA-N
XLogP1.76
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene
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2,5-dimethoxy-3-methylbenzene-1,4-diol
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CID 101406960
CID 101406960
4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide
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2-(1-fluoroethyl)-4,5-dimethoxyphenol
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4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol
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4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol
CID 163283549
3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol
CID 130034016

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5,8-dihydronaphthalene-1,4-diol?
The IUPAC name of 2-methoxy-5,8-dihydronaphthalene-1,4-diol (CID 5315063) is 2-methoxy-5,8-dihydronaphthalene-1,4-diol.
What is the SMILES notation for 2-methoxy-5,8-dihydronaphthalene-1,4-diol?
The canonical SMILES for 2-methoxy-5,8-dihydronaphthalene-1,4-diol is COc1cc(O)c2c(c1O)CC=CC2.
What is the InChIKey of 2-methoxy-5,8-dihydronaphthalene-1,4-diol?
The InChIKey is FPMZXYLNPJRIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-3,6,12-13H,4-5H2,1H3.
What are the key properties of 2-methoxy-5,8-dihydronaphthalene-1,4-diol?
2-methoxy-5,8-dihydronaphthalene-1,4-diol has a molecular weight of 192.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5,8-dihydronaphthalene-1,4-diol is sourced from PubChem (CID 5315063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).