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

C17H16O — CID 98477563

IUPAC(1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
SMILESO[C@@]1(c2ccccc2)C[C@@H]2C[C@@H]1c1ccccc12
InChIInChI=1S/C17H16O/c18-17(13-6-2-1-3-7-13)11-12-10-16(17)15-9-5-4-8-14(12)15/h1-9,12,16,18H,10-11H2/t12-,16+,17+/m0/s1
InChIKeyGDPKQFSSQLRCPI-JCURWCKSSA-N
MW236.31 g/mol
LogP3.55
Rot. Bonds1

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

(1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol (PubChem CID 98477563) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is (1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol.

Molecular Properties

Compound Name(1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
PubChem CID98477563
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name(1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
SMILESO[C@@]1(c2ccccc2)C[C@@H]2C[C@@H]1c1ccccc12
InChIInChI=1S/C17H16O/c18-17(13-6-2-1-3-7-13)11-12-10-16(17)15-9-5-4-8-14(12)15/h1-9,12,16,18H,10-11H2/t12-,16+,17+/m0/s1
InChIKeyGDPKQFSSQLRCPI-JCURWCKSSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol
CID 124803011
2-phenylbicyclo[2.2.1]heptane-2,5-diol
CID 59556115
(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
CID 102394806
(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
CID 135044945
(1R,2S,4R)-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 98544518
(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
CID 95931344
(1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol
CID 98523856
(1R,2R)-1-methyl-2-phenyl-1,3-dihydroinden-2-ol
CID 14449205
(8R)-8-methanidyltricyclo[7.1.1.02,7]undeca-2,4,6-trien-9-ol;nickel
CID 134945587
(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol
CID 10560294
(1R,8S,9R)-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol
CID 124808146

Frequently Asked Questions

What is the IUPAC name of (1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
The IUPAC name of (1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol (CID 98477563) is (1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol.
What is the SMILES notation for (1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
The canonical SMILES for (1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol is O[C@@]1(c2ccccc2)C[C@@H]2C[C@@H]1c1ccccc12.
What is the InChIKey of (1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
The InChIKey is GDPKQFSSQLRCPI-JCURWCKSSA-N. The full InChI is InChI=1S/C17H16O/c18-17(13-6-2-1-3-7-13)11-12-10-16(17)15-9-5-4-8-14(12)15/h1-9,12,16,18H,10-11H2/t12-,16+,17+/m0/s1.
What are the key properties of (1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
(1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol has a molecular weight of 236.31 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol is sourced from PubChem (CID 98477563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).