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

C13H22O2 — CID 124771553

IUPAC(1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
SMILESO[C@@H]1CC[C@H]([C@H]2C[C@H]3CC[C@H]2C3)C[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-/m0/s1
InChIKeySGUPAOBRTOEZCB-RJRAAQABSA-N
MW210.32 g/mol
LogP1.94
Rot. Bonds1

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

(1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol (PubChem CID 124771553) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
PubChem CID124771553
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
SMILESO[C@@H]1CC[C@H]([C@H]2C[C@H]3CC[C@H]2C3)C[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-/m0/s1
InChIKeySGUPAOBRTOEZCB-RJRAAQABSA-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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol?
The IUPAC name of (1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol (CID 124771553) is (1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol.
What is the SMILES notation for (1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol?
The canonical SMILES for (1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol is O[C@@H]1CC[C@H]([C@H]2C[C@H]3CC[C@H]2C3)C[C@@H]1O.
What is the InChIKey of (1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol?
The InChIKey is SGUPAOBRTOEZCB-RJRAAQABSA-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-/m0/s1.
What are the key properties of (1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol?
(1R,2S,4S)-4-[(1S,2S,4S)-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 (1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol is sourced from PubChem (CID 124771553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).