(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol

C19H20O2 — CID 124803011

IUPAC(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol
SMILESO[C@@]1(c2ccccc2)C[C@@H]2C[C@@H]1C[C@@]2(O)c1ccccc1
InChIInChI=1S/C19H20O2/c20-18(14-7-3-1-4-8-14)12-17-11-16(18)13-19(17,21)15-9-5-2-6-10-15/h1-10,16-17,20-21H,11-13H2/t16-,17+,18-,19-/m1/s1
InChIKeyQIRITCPOCIZVLU-FCGDIQPGSA-N
MW280.37 g/mol
LogP3.19
Rot. Bonds2

About (1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol

(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol (PubChem CID 124803011) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol.

Molecular Properties

Compound Name(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol
PubChem CID124803011
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol
SMILESO[C@@]1(c2ccccc2)C[C@@H]2C[C@@H]1C[C@@]2(O)c1ccccc1
InChIInChI=1S/C19H20O2/c20-18(14-7-3-1-4-8-14)12-17-11-16(18)13-19(17,21)15-9-5-2-6-10-15/h1-10,16-17,20-21H,11-13H2/t16-,17+,18-,19-/m1/s1
InChIKeyQIRITCPOCIZVLU-FCGDIQPGSA-N
XLogP3.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol with MolForge

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Related Compounds

(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
CID 102394806
(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,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
CID 95931344
(1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
CID 98477563
(1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol
CID 98523856
(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
CID 135044945
(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol
CID 10560294
trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
CID 124681224
(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol
CID 124672757
3-phenyl-1-azoniabicyclo[2.2.2]octan-3-ol
CID 4105317

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol?
The IUPAC name of (1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol (CID 124803011) is (1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol.
What is the SMILES notation for (1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol?
The canonical SMILES for (1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol is O[C@@]1(c2ccccc2)C[C@@H]2C[C@@H]1C[C@@]2(O)c1ccccc1.
What is the InChIKey of (1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol?
The InChIKey is QIRITCPOCIZVLU-FCGDIQPGSA-N. The full InChI is InChI=1S/C19H20O2/c20-18(14-7-3-1-4-8-14)12-17-11-16(18)13-19(17,21)15-9-5-2-6-10-15/h1-10,16-17,20-21H,11-13H2/t16-,17+,18-,19-/m1/s1.
What are the key properties of (1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol?
(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol has a molecular weight of 280.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol is sourced from PubChem (CID 124803011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).