11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-ylmethanol

C11H10O2 — CID 130130423

IUPAC11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-ylmethanol
SMILESOCc1ccc2c(c1)C1C=CC2O1
InChIInChI=1S/C11H10O2/c12-6-7-1-2-8-9(5-7)11-4-3-10(8)13-11/h1-5,10-12H,6H2
InChIKeyDXZDPAAFTVULEU-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.86
Rot. Bonds1

About 11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-ylmethanol

11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-ylmethanol (PubChem CID 130130423) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-ylmethanol.

Molecular Properties

Compound Name11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-ylmethanol
PubChem CID130130423
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-ylmethanol
SMILESOCc1ccc2c(c1)C1C=CC2O1
InChIInChI=1S/C11H10O2/c12-6-7-1-2-8-9(5-7)11-4-3-10(8)13-11/h1-5,10-12H,6H2
InChIKeyDXZDPAAFTVULEU-UHFFFAOYSA-N
XLogP1.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-ylmethanol?
The IUPAC name of 11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-ylmethanol (CID 130130423) is 11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-ylmethanol.
What is the SMILES notation for 11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-ylmethanol?
The canonical SMILES for 11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-ylmethanol is OCc1ccc2c(c1)C1C=CC2O1.
What is the InChIKey of 11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-ylmethanol?
The InChIKey is DXZDPAAFTVULEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-6-7-1-2-8-9(5-7)11-4-3-10(8)13-11/h1-5,10-12H,6H2.
What are the key properties of 11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-ylmethanol?
11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-ylmethanol has a molecular weight of 174.20 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-ylmethanol is sourced from PubChem (CID 130130423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).