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

C20H16O4 — CID 160740349

IUPACnaphthalene-1,2-diol;naphthalene-1,6-diol
SMILESOc1ccc2c(O)cccc2c1.Oc1ccc2ccccc2c1O
InChIInChI=1S/2C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h2*1-6,11-12H
InChIKeyRVMLCFPXGHTSOP-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.50
Rot. Bonds

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

naphthalene-1,2-diol;naphthalene-1,6-diol (PubChem CID 160740349) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is naphthalene-1,2-diol;naphthalene-1,6-diol.

Molecular Properties

Compound Namenaphthalene-1,2-diol;naphthalene-1,6-diol
PubChem CID160740349
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Namenaphthalene-1,2-diol;naphthalene-1,6-diol
SMILESOc1ccc2c(O)cccc2c1.Oc1ccc2ccccc2c1O
InChIInChI=1S/2C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h2*1-6,11-12H
InChIKeyRVMLCFPXGHTSOP-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphthalene-1,2-diol;naphthalene-1,6-diol?
The IUPAC name of naphthalene-1,2-diol;naphthalene-1,6-diol (CID 160740349) is naphthalene-1,2-diol;naphthalene-1,6-diol.
What is the SMILES notation for naphthalene-1,2-diol;naphthalene-1,6-diol?
The canonical SMILES for naphthalene-1,2-diol;naphthalene-1,6-diol is Oc1ccc2c(O)cccc2c1.Oc1ccc2ccccc2c1O.
What is the InChIKey of naphthalene-1,2-diol;naphthalene-1,6-diol?
The InChIKey is RVMLCFPXGHTSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h2*1-6,11-12H.
What are the key properties of naphthalene-1,2-diol;naphthalene-1,6-diol?
naphthalene-1,2-diol;naphthalene-1,6-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-1,2-diol;naphthalene-1,6-diol is sourced from PubChem (CID 160740349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).