(9S,11R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,11-diol

C11H12O2 — CID 129012253

IUPAC(9S,11R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,11-diol
SMILESO[C@@H]1C2C[C@H](O)C1c1ccccc12
InChIInChI=1S/C11H12O2/c12-9-5-8-6-3-1-2-4-7(6)10(9)11(8)13/h1-4,8-13H,5H2/t8?,9-,10?,11+/m0/s1
InChIKeyIJYOWIYFUHTPRX-QONHTCSSSA-N
MW176.22 g/mol
LogP0.99
Rot. Bonds

About (9S,11R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,11-diol

(9S,11R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,11-diol (PubChem CID 129012253) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (9S,11R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,11-diol.

Molecular Properties

Compound Name(9S,11R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,11-diol
PubChem CID129012253
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(9S,11R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,11-diol
SMILESO[C@@H]1C2C[C@H](O)C1c1ccccc12
InChIInChI=1S/C11H12O2/c12-9-5-8-6-3-1-2-4-7(6)10(9)11(8)13/h1-4,8-13H,5H2/t8?,9-,10?,11+/m0/s1
InChIKeyIJYOWIYFUHTPRX-QONHTCSSSA-N
XLogP0.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9S,11R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,11-diol?
The IUPAC name of (9S,11R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,11-diol (CID 129012253) is (9S,11R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,11-diol.
What is the SMILES notation for (9S,11R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,11-diol?
The canonical SMILES for (9S,11R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,11-diol is O[C@@H]1C2C[C@H](O)C1c1ccccc12.
What is the InChIKey of (9S,11R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,11-diol?
The InChIKey is IJYOWIYFUHTPRX-QONHTCSSSA-N. The full InChI is InChI=1S/C11H12O2/c12-9-5-8-6-3-1-2-4-7(6)10(9)11(8)13/h1-4,8-13H,5H2/t8?,9-,10?,11+/m0/s1.
What are the key properties of (9S,11R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,11-diol?
(9S,11R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,11-diol has a molecular weight of 176.22 g/mol, XLogP of 0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S,11R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,11-diol is sourced from PubChem (CID 129012253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).