naphthalene-1,4-diol;naphthalene-2,6-diol

C20H16O4 — CID 67516588

IUPACnaphthalene-1,4-diol;naphthalene-2,6-diol
SMILESOc1ccc(O)c2ccccc12.Oc1ccc2cc(O)ccc2c1
InChIInChI=1S/2C10H8O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h2*1-6,11-12H
InChIKeyBZIFQJANGTVYFE-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.50
Rot. Bonds

About naphthalene-1,4-diol;naphthalene-2,6-diol

naphthalene-1,4-diol;naphthalene-2,6-diol (PubChem CID 67516588) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is naphthalene-1,4-diol;naphthalene-2,6-diol.

Molecular Properties

Compound Namenaphthalene-1,4-diol;naphthalene-2,6-diol
PubChem CID67516588
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Namenaphthalene-1,4-diol;naphthalene-2,6-diol
SMILESOc1ccc(O)c2ccccc12.Oc1ccc2cc(O)ccc2c1
InChIInChI=1S/2C10H8O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h2*1-6,11-12H
InChIKeyBZIFQJANGTVYFE-UHFFFAOYSA-N
XLogP4.50
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.50
H-Bond Donors ≤ 54
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 naphthalene-1,4-diol;naphthalene-2,6-diol?
The IUPAC name of naphthalene-1,4-diol;naphthalene-2,6-diol (CID 67516588) is naphthalene-1,4-diol;naphthalene-2,6-diol.
What is the SMILES notation for naphthalene-1,4-diol;naphthalene-2,6-diol?
The canonical SMILES for naphthalene-1,4-diol;naphthalene-2,6-diol is Oc1ccc(O)c2ccccc12.Oc1ccc2cc(O)ccc2c1.
What is the InChIKey of naphthalene-1,4-diol;naphthalene-2,6-diol?
The InChIKey is BZIFQJANGTVYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h2*1-6,11-12H.
What are the key properties of naphthalene-1,4-diol;naphthalene-2,6-diol?
naphthalene-1,4-diol;naphthalene-2,6-diol has a molecular weight of 320.34 g/mol, XLogP of 4.50, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,4-diol;naphthalene-2,6-diol is sourced from PubChem (CID 67516588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).