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

C9H16O — CID 14043115

IUPAC2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
SMILESOCC[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H16O/c10-4-3-9-6-7-1-2-8(9)5-7/h7-10H,1-6H2/t7-,8+,9+/m0/s1
InChIKeyKCJSRRQHLVFCEM-DJLDLDEBSA-N
MW140.23 g/mol
LogP1.80
Rot. Bonds2

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

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol (PubChem CID 14043115) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol.

Molecular Properties

Compound Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
PubChem CID14043115
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
SMILESOCC[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H16O/c10-4-3-9-6-7-1-2-8(9)5-7/h7-10H,1-6H2/t7-,8+,9+/m0/s1
InChIKeyKCJSRRQHLVFCEM-DJLDLDEBSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol?
The IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol (CID 14043115) is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol.
What is the SMILES notation for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol?
The canonical SMILES for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol is OCC[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol?
The InChIKey is KCJSRRQHLVFCEM-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H16O/c10-4-3-9-6-7-1-2-8(9)5-7/h7-10H,1-6H2/t7-,8+,9+/m0/s1.
What are the key properties of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol?
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol has a molecular weight of 140.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol is sourced from PubChem (CID 14043115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).