11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol

C10H6O3 — CID 123457192

IUPAC11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol
SMILESOc1ccc(O)c2c3ccc(o3)c12
InChIInChI=1S/C10H6O3/c11-5-1-2-6(12)10-8-4-3-7(13-8)9(5)10/h1-4,11-12H
InChIKeyDFWADGXLCANGIX-UHFFFAOYSA-N
MW174.15 g/mol
LogP2.43
Rot. Bonds

About 11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol

11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol (PubChem CID 123457192) has the molecular formula C10H6O3 and a molecular weight of 174.15 g/mol. Its IUPAC name is 11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol.

Molecular Properties

Compound Name11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol
PubChem CID123457192
Molecular FormulaC10H6O3
Molecular Weight174.15 g/mol
Exact Mass174.03
IUPAC Name11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol
SMILESOc1ccc(O)c2c3ccc(o3)c12
InChIInChI=1S/C10H6O3/c11-5-1-2-6(12)10-8-4-3-7(13-8)9(5)10/h1-4,11-12H
InChIKeyDFWADGXLCANGIX-UHFFFAOYSA-N
XLogP2.43
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol?
The IUPAC name of 11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol (CID 123457192) is 11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol.
What is the SMILES notation for 11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol?
The canonical SMILES for 11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol is Oc1ccc(O)c2c3ccc(o3)c12.
What is the InChIKey of 11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol?
The InChIKey is DFWADGXLCANGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O3/c11-5-1-2-6(12)10-8-4-3-7(13-8)9(5)10/h1-4,11-12H.
What are the key properties of 11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol?
11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol has a molecular weight of 174.15 g/mol, XLogP of 2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaene-3,6-diol is sourced from PubChem (CID 123457192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).