1-[3-(1-hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol

C11H18O2 — CID 21414185

IUPAC1-[3-(1-hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol
SMILESCC(O)C1C2C=CC(C2)C1C(C)O
InChIInChI=1S/C11H18O2/c1-6(12)10-8-3-4-9(5-8)11(10)7(2)13/h3-4,6-13H,5H2,1-2H3
InChIKeyLSGIYLIJAFTOMC-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.19
Rot. Bonds2

About 1-[3-(1-hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol

1-[3-(1-hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol (PubChem CID 21414185) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol
PubChem CID21414185
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-[3-(1-hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol
SMILESCC(O)C1C2C=CC(C2)C1C(C)O
InChIInChI=1S/C11H18O2/c1-6(12)10-8-3-4-9(5-8)11(10)7(2)13/h3-4,6-13H,5H2,1-2H3
InChIKeyLSGIYLIJAFTOMC-UHFFFAOYSA-N
XLogP1.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol?
The IUPAC name of 1-[3-(1-hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol (CID 21414185) is 1-[3-(1-hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol?
The canonical SMILES for 1-[3-(1-hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol is CC(O)C1C2C=CC(C2)C1C(C)O.
What is the InChIKey of 1-[3-(1-hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol?
The InChIKey is LSGIYLIJAFTOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-6(12)10-8-3-4-9(5-8)11(10)7(2)13/h3-4,6-13H,5H2,1-2H3.
What are the key properties of 1-[3-(1-hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol?
1-[3-(1-hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol has a molecular weight of 182.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol is sourced from PubChem (CID 21414185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).