2,3-dimethoxy-5-methylnaphthalene-1,4-diol

C13H14O4 — CID 21399669

IUPAC2,3-dimethoxy-5-methylnaphthalene-1,4-diol
SMILESCOc1c(OC)c(O)c2c(C)cccc2c1O
InChIInChI=1S/C13H14O4/c1-7-5-4-6-8-9(7)11(15)13(17-3)12(16-2)10(8)14/h4-6,14-15H,1-3H3
InChIKeyUOVVHOWBDAJMSO-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.58
Rot. Bonds2

About 2,3-dimethoxy-5-methylnaphthalene-1,4-diol

2,3-dimethoxy-5-methylnaphthalene-1,4-diol (PubChem CID 21399669) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2,3-dimethoxy-5-methylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2,3-dimethoxy-5-methylnaphthalene-1,4-diol
PubChem CID21399669
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name2,3-dimethoxy-5-methylnaphthalene-1,4-diol
SMILESCOc1c(OC)c(O)c2c(C)cccc2c1O
InChIInChI=1S/C13H14O4/c1-7-5-4-6-8-9(7)11(15)13(17-3)12(16-2)10(8)14/h4-6,14-15H,1-3H3
InChIKeyUOVVHOWBDAJMSO-UHFFFAOYSA-N
XLogP2.58
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-methylnaphthalene-1,4-diol?
The IUPAC name of 2,3-dimethoxy-5-methylnaphthalene-1,4-diol (CID 21399669) is 2,3-dimethoxy-5-methylnaphthalene-1,4-diol.
What is the SMILES notation for 2,3-dimethoxy-5-methylnaphthalene-1,4-diol?
The canonical SMILES for 2,3-dimethoxy-5-methylnaphthalene-1,4-diol is COc1c(OC)c(O)c2c(C)cccc2c1O.
What is the InChIKey of 2,3-dimethoxy-5-methylnaphthalene-1,4-diol?
The InChIKey is UOVVHOWBDAJMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-7-5-4-6-8-9(7)11(15)13(17-3)12(16-2)10(8)14/h4-6,14-15H,1-3H3.
What are the key properties of 2,3-dimethoxy-5-methylnaphthalene-1,4-diol?
2,3-dimethoxy-5-methylnaphthalene-1,4-diol has a molecular weight of 234.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-methylnaphthalene-1,4-diol is sourced from PubChem (CID 21399669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).