9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate

C22H30O3 — CID 149172489

IUPAC9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
SMILESO=C(OC1C2CCCC1CCC2)[C@](O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C22H30O3/c23-21(25-20-16-8-6-9-17(20)11-7-10-16)22(24,19-14-4-5-15-19)18-12-2-1-3-13-18/h1-3,12-13,16-17,19-20,24H,4-11,14-15H2/t16?,17?,20?,22-/m0/s1
InChIKeyWZIHXMLPOPHJBT-DJBOQGILSA-N
MW342.48 g/mol
LogP4.58
Rot. Bonds4

About 9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate

9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate (PubChem CID 149172489) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is 9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
PubChem CID149172489
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Name9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
SMILESO=C(OC1C2CCCC1CCC2)[C@](O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C22H30O3/c23-21(25-20-16-8-6-9-17(20)11-7-10-16)22(24,19-14-4-5-15-19)18-12-2-1-3-13-18/h1-3,12-13,16-17,19-20,24H,4-11,14-15H2/t16?,17?,20?,22-/m0/s1
InChIKeyWZIHXMLPOPHJBT-DJBOQGILSA-N
XLogP4.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate 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 9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate?
The IUPAC name of 9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate (CID 149172489) is 9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate.
What is the SMILES notation for 9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate?
The canonical SMILES for 9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate is O=C(OC1C2CCCC1CCC2)[C@](O)(c1ccccc1)C1CCCC1.
What is the InChIKey of 9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate?
The InChIKey is WZIHXMLPOPHJBT-DJBOQGILSA-N. The full InChI is InChI=1S/C22H30O3/c23-21(25-20-16-8-6-9-17(20)11-7-10-16)22(24,19-14-4-5-15-19)18-12-2-1-3-13-18/h1-3,12-13,16-17,19-20,24H,4-11,14-15H2/t16?,17?,20?,22-/m0/s1.
What are the key properties of 9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate?
9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate has a molecular weight of 342.48 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bicyclo[3.3.1]nonanyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 149172489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).