(1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol

C16H16O — CID 124916174

IUPAC(1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol
SMILESO[C@@H]1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@H]1[C@@H]32
InChIInChI=1S/C16H16O/c17-14-9-12-7-6-11-8-13(16(14)15(11)12)10-4-2-1-3-5-10/h1-8,11-12,14-17H,9H2/t11-,12+,14-,15+,16-/m1/s1
InChIKeyCFWGFWXYQMMSFE-XHXGSEDSSA-N
MW224.30 g/mol
LogP2.88
Rot. Bonds1

About (1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol

(1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol (PubChem CID 124916174) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is (1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol.

Molecular Properties

Compound Name(1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol
PubChem CID124916174
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name(1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol
SMILESO[C@@H]1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@H]1[C@@H]32
InChIInChI=1S/C16H16O/c17-14-9-12-7-6-11-8-13(16(14)15(11)12)10-4-2-1-3-5-10/h1-8,11-12,14-17H,9H2/t11-,12+,14-,15+,16-/m1/s1
InChIKeyCFWGFWXYQMMSFE-XHXGSEDSSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol?
The IUPAC name of (1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol (CID 124916174) is (1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol.
What is the SMILES notation for (1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol?
The canonical SMILES for (1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol is O[C@@H]1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@H]1[C@@H]32.
What is the InChIKey of (1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol?
The InChIKey is CFWGFWXYQMMSFE-XHXGSEDSSA-N. The full InChI is InChI=1S/C16H16O/c17-14-9-12-7-6-11-8-13(16(14)15(11)12)10-4-2-1-3-5-10/h1-8,11-12,14-17H,9H2/t11-,12+,14-,15+,16-/m1/s1.
What are the key properties of (1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol?
(1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol has a molecular weight of 224.30 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,7S,10R)-9-phenyltricyclo[5.2.1.04,10]deca-5,8-dien-2-ol is sourced from PubChem (CID 124916174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).