(2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol

C21H20O — CID 23308399

IUPAC(2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol
SMILESO[C@@]12C3C4CC1[C@@H]2C4C(c1ccccc1)C3c1ccccc1
InChIInChI=1S/C21H20O/c22-21-15-11-14-18(20(15)21)16(12-7-3-1-4-8-12)17(19(14)21)13-9-5-2-6-10-13/h1-10,14-20,22H,11H2/t14?,15?,16?,17?,18?,19?,20-,21-/m1/s1
InChIKeyKMCVEOHBSMZJQN-ATCLYYFKSA-N
MW288.39 g/mol
LogP3.81
Rot. Bonds2

About (2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol

(2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol (PubChem CID 23308399) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol.

Molecular Properties

Compound Name(2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol
PubChem CID23308399
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name(2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol
SMILESO[C@@]12C3C4CC1[C@@H]2C4C(c1ccccc1)C3c1ccccc1
InChIInChI=1S/C21H20O/c22-21-15-11-14-18(20(15)21)16(12-7-3-1-4-8-12)17(19(14)21)13-9-5-2-6-10-13/h1-10,14-20,22H,11H2/t14?,15?,16?,17?,18?,19?,20-,21-/m1/s1
InChIKeyKMCVEOHBSMZJQN-ATCLYYFKSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]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

Related Compounds

(3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole
CID 12616611
3,5-diphenyl-4,5-dihydro-3H-pyrazole
CID 12616610
2,3-diphenylcyclopropan-1-ol
CID 15400659
9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 140505234
(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
CID 95931344
(10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde
CID 135061566
4-[(3S,4R,7R,8S)-4,8-diphenyl-7-pyridin-1-ium-4-yl-3-tricyclo[4.2.0.02,5]octanyl]pyridin-1-ium
CID 102308578
(1R,2S,3S,5R,6R,7R,9S,10R,11R)-11-(benzylamino)-11-hydroxypentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
CID 10493090
(1S,2S,3S,5R,6R,7R,8R,9S,10R)-11,11-difluoro-8-phenylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol
CID 11973037
(1R,5R,6R)-6-phenylbicyclo[3.1.0]hexan-2-one
CID 11147997
(1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol
CID 131123237
copper;5,6,7,8-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 173350191

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol?
The IUPAC name of (2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol (CID 23308399) is (2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol.
What is the SMILES notation for (2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol?
The canonical SMILES for (2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol is O[C@@]12C3C4CC1[C@@H]2C4C(c1ccccc1)C3c1ccccc1.
What is the InChIKey of (2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol?
The InChIKey is KMCVEOHBSMZJQN-ATCLYYFKSA-N. The full InChI is InChI=1S/C21H20O/c22-21-15-11-14-18(20(15)21)16(12-7-3-1-4-8-12)17(19(14)21)13-9-5-2-6-10-13/h1-10,14-20,22H,11H2/t14?,15?,16?,17?,18?,19?,20-,21-/m1/s1.
What are the key properties of (2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol?
(2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-8,9-diphenyltetracyclo[4.3.0.02,4.03,7]nonan-2-ol is sourced from PubChem (CID 23308399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).