cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol

C13H22O — CID 98363893

IUPACcis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
SMILESO[C@H]1CCC[C@@H]([C@@H]2C[C@H]3CC[C@H]2C3)C1
InChIInChI=1S/C13H22O/c14-12-3-1-2-10(8-12)13-7-9-4-5-11(13)6-9/h9-14H,1-8H2/t9-,10+,11-,12-,13-/m0/s1
InChIKeyMNXVGUCFLBZRQY-PPCPHDFISA-N
MW194.32 g/mol
LogP2.97
Rot. Bonds1

About cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol

cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol (PubChem CID 98363893) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
PubChem CID98363893
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Namecis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
SMILESO[C@H]1CCC[C@@H]([C@@H]2C[C@H]3CC[C@H]2C3)C1
InChIInChI=1S/C13H22O/c14-12-3-1-2-10(8-12)13-7-9-4-5-11(13)6-9/h9-14H,1-8H2/t9-,10+,11-,12-,13-/m0/s1
InChIKeyMNXVGUCFLBZRQY-PPCPHDFISA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol (CID 98363893) is cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol is O[C@H]1CCC[C@@H]([C@@H]2C[C@H]3CC[C@H]2C3)C1.
What is the InChIKey of cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The InChIKey is MNXVGUCFLBZRQY-PPCPHDFISA-N. The full InChI is InChI=1S/C13H22O/c14-12-3-1-2-10(8-12)13-7-9-4-5-11(13)6-9/h9-14H,1-8H2/t9-,10+,11-,12-,13-/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol has a molecular weight of 194.32 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol is sourced from PubChem (CID 98363893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).