(1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol

C22H24O2 — CID 98394115

IUPAC(1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol
SMILESO[C@@H]1[C@@H]2CC[C@@H]3[C@@H]2C[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@@H]13
InChIInChI=1S/C22H24O2/c23-21-17-12-11-16-18(17)13-19(20(16)21)22(24,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-21,23-24H,11-13H2/t16-,17-,18+,19-,20+,21-/m1/s1
InChIKeyXWSHAONUVZUKOY-OXZADQLBSA-N
MW320.43 g/mol
LogP3.58
Rot. Bonds3

About (1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol

(1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol (PubChem CID 98394115) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is (1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol.

Molecular Properties

Compound Name(1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol
PubChem CID98394115
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name(1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol
SMILESO[C@@H]1[C@@H]2CC[C@@H]3[C@@H]2C[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@@H]13
InChIInChI=1S/C22H24O2/c23-21-17-12-11-16-18(17)13-19(20(16)21)22(24,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-21,23-24H,11-13H2/t16-,17-,18+,19-,20+,21-/m1/s1
InChIKeyXWSHAONUVZUKOY-OXZADQLBSA-N
XLogP3.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-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 (1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol?
The IUPAC name of (1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol (CID 98394115) is (1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol.
What is the SMILES notation for (1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol?
The canonical SMILES for (1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol is O[C@@H]1[C@@H]2CC[C@@H]3[C@@H]2C[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@@H]13.
What is the InChIKey of (1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol?
The InChIKey is XWSHAONUVZUKOY-OXZADQLBSA-N. The full InChI is InChI=1S/C22H24O2/c23-21-17-12-11-16-18(17)13-19(20(16)21)22(24,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-21,23-24H,11-13H2/t16-,17-,18+,19-,20+,21-/m1/s1.
What are the key properties of (1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol?
(1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol has a molecular weight of 320.43 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4R,6S,7R)-4-[hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol is sourced from PubChem (CID 98394115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).