(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol

C20H22O2 — CID 102394806

IUPAC(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
SMILESO[C@@]1(c2ccccc2)C[C@@H]2CC[C@H]1C[C@@]2(O)c1ccccc1
InChIInChI=1S/C20H22O2/c21-19(15-7-3-1-4-8-15)13-18-12-11-17(19)14-20(18,22)16-9-5-2-6-10-16/h1-10,17-18,21-22H,11-14H2/t17-,18-,19+,20+/m0/s1
InChIKeyFTTIALHZTWFLJJ-VNTMZGSJSA-N
MW294.39 g/mol
LogP3.58
Rot. Bonds2

About (1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol

(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol (PubChem CID 102394806) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol.

Molecular Properties

Compound Name(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
PubChem CID102394806
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
SMILESO[C@@]1(c2ccccc2)C[C@@H]2CC[C@H]1C[C@@]2(O)c1ccccc1
InChIInChI=1S/C20H22O2/c21-19(15-7-3-1-4-8-15)13-18-12-11-17(19)14-20(18,22)16-9-5-2-6-10-16/h1-10,17-18,21-22H,11-14H2/t17-,18-,19+,20+/m0/s1
InChIKeyFTTIALHZTWFLJJ-VNTMZGSJSA-N
XLogP3.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol 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

(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol
CID 124803011
(1R,2S,4R)-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 98544518
2-phenylbicyclo[2.2.1]heptane-2,5-diol
CID 59556115
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
CID 135044945
(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol
CID 124672757
3-phenyl-1-azoniabicyclo[2.2.2]octan-3-ol
CID 4105317
(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
CID 95931344
(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol
CID 10560294
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
cis-(1R,2S)-2-amino-1-phenylcyclopentan-1-ol
CID 92978161
(1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 93484070

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol?
The IUPAC name of (1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol (CID 102394806) is (1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol.
What is the SMILES notation for (1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol?
The canonical SMILES for (1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol is O[C@@]1(c2ccccc2)C[C@@H]2CC[C@H]1C[C@@]2(O)c1ccccc1.
What is the InChIKey of (1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol?
The InChIKey is FTTIALHZTWFLJJ-VNTMZGSJSA-N. The full InChI is InChI=1S/C20H22O2/c21-19(15-7-3-1-4-8-15)13-18-12-11-17(19)14-20(18,22)16-9-5-2-6-10-16/h1-10,17-18,21-22H,11-14H2/t17-,18-,19+,20+/m0/s1.
What are the key properties of (1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol?
(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol has a molecular weight of 294.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol is sourced from PubChem (CID 102394806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).