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

C9H16O — CID 14043124

IUPAC2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
SMILESOCCC1C[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?/m1/s1
InChIKeyKCJSRRQHLVFCEM-WGTSGOJVSA-N
MW140.23 g/mol
LogP1.80
Rot. Bonds2

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

2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol (PubChem CID 14043124) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol.

Molecular Properties

Compound Name2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
PubChem CID14043124
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
SMILESOCCC1C[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?/m1/s1
InChIKeyKCJSRRQHLVFCEM-WGTSGOJVSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
[8-(hydroxymethyl)-4-bicyclo[5.2.1]decanyl]methanol
CID 66848084
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
[(1S,5R,6R)-6-bicyclo[3.2.1]octanyl]methanol
CID 131199969
(1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol
CID 139094019
ethyl 3-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanoate
CID 98287617
(1S,2S,4S)-2-(bromomethyl)bicyclo[2.2.1]heptane
CID 12625652
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
[(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol
CID 130763821

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol?
The IUPAC name of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol (CID 14043124) is 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol.
What is the SMILES notation for 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol?
The canonical SMILES for 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol is OCCC1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol?
The InChIKey is KCJSRRQHLVFCEM-WGTSGOJVSA-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?/m1/s1.
What are the key properties of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol?
2-[(1S,4R)-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-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol is sourced from PubChem (CID 14043124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).