(1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol

C13H22O2 — CID 18390289

IUPAC(1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
SMILESO[C@@H]1C[C@H]([C@H]2C[C@@H]3CC[C@@H]2C3)CC[C@@H]1O
InChIInChI=1S/C13H22O2/c14-12-4-3-10(7-13(12)15)11-6-8-1-2-9(11)5-8/h8-15H,1-7H2/t8-,9-,10-,11+,12+,13-/m1/s1
InChIKeySGUPAOBRTOEZCB-RBBWPXTMSA-N
MW210.32 g/mol
LogP1.94
Rot. Bonds1

About (1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol

(1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol (PubChem CID 18390289) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
PubChem CID18390289
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
SMILESO[C@@H]1C[C@H]([C@H]2C[C@@H]3CC[C@@H]2C3)CC[C@@H]1O
InChIInChI=1S/C13H22O2/c14-12-4-3-10(7-13(12)15)11-6-8-1-2-9(11)5-8/h8-15H,1-7H2/t8-,9-,10-,11+,12+,13-/m1/s1
InChIKeySGUPAOBRTOEZCB-RBBWPXTMSA-N
XLogP1.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol with MolForge

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Related Compounds

(1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
CID 124771553
cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 98363893
(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol
CID 166987475
(1R,2R,5R)-bicyclo[3.1.0]hexan-2-ol
CID 124541760
(2S)-bicyclo[3.1.0]hexan-2-ol
CID 145089467
bicyclo[2.2.1]heptan-2-ol;ethane
CID 143739215
tetracyclo[6.2.1.02,5.04,6]undecane
CID 143721490
(2S)-bicyclo[3.2.2]nonan-2-ol
CID 10749279
2-(2-bicyclo[2.2.1]heptanyl)-2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene
CID 123771301
(3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol
CID 12649513
propane;tricyclo[4.2.1.03,7]nonane
CID 91449574
(1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol
CID 124775126

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol?
The IUPAC name of (1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol (CID 18390289) is (1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol.
What is the SMILES notation for (1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol?
The canonical SMILES for (1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol is O[C@@H]1C[C@H]([C@H]2C[C@@H]3CC[C@@H]2C3)CC[C@@H]1O.
What is the InChIKey of (1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol?
The InChIKey is SGUPAOBRTOEZCB-RBBWPXTMSA-N. The full InChI is InChI=1S/C13H22O2/c14-12-4-3-10(7-13(12)15)11-6-8-1-2-9(11)5-8/h8-15H,1-7H2/t8-,9-,10-,11+,12+,13-/m1/s1.
What are the key properties of (1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol?
(1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol has a molecular weight of 210.32 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol is sourced from PubChem (CID 18390289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).