(1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol

C11H12O — CID 11480607

IUPAC(1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
SMILESO[C@@H]1C[C@@H]2C[C@H]1c1ccccc12
InChIInChI=1S/C11H12O/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h1-4,7,10-12H,5-6H2/t7-,10-,11+/m0/s1
InChIKeyHWIOWHLYKDUPQA-BKDNQFJXSA-N
MW160.22 g/mol
LogP2.02
Rot. Bonds

About (1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol

(1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol (PubChem CID 11480607) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol.

Molecular Properties

Compound Name(1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
PubChem CID11480607
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
SMILESO[C@@H]1C[C@@H]2C[C@H]1c1ccccc12
InChIInChI=1S/C11H12O/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h1-4,7,10-12H,5-6H2/t7-,10-,11+/m0/s1
InChIKeyHWIOWHLYKDUPQA-BKDNQFJXSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
The IUPAC name of (1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol (CID 11480607) is (1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol.
What is the SMILES notation for (1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
The canonical SMILES for (1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol is O[C@@H]1C[C@@H]2C[C@H]1c1ccccc12.
What is the InChIKey of (1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
The InChIKey is HWIOWHLYKDUPQA-BKDNQFJXSA-N. The full InChI is InChI=1S/C11H12O/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h1-4,7,10-12H,5-6H2/t7-,10-,11+/m0/s1.
What are the key properties of (1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
(1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol has a molecular weight of 160.22 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S,9R)-tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol is sourced from PubChem (CID 11480607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).