3-(1-hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol

C9H14O2 — CID 12547582

IUPAC3-(1-hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESCC(O)C1C2C=CC(C2)C1O
InChIInChI=1S/C9H14O2/c1-5(10)8-6-2-3-7(4-6)9(8)11/h2-3,5-11H,4H2,1H3
InChIKeyKPBURJLUVUYHBA-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.55
Rot. Bonds1

About 3-(1-hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol

3-(1-hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 12547582) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name3-(1-hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol
PubChem CID12547582
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-(1-hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESCC(O)C1C2C=CC(C2)C1O
InChIInChI=1S/C9H14O2/c1-5(10)8-6-2-3-7(4-6)9(8)11/h2-3,5-11H,4H2,1H3
InChIKeyKPBURJLUVUYHBA-UHFFFAOYSA-N
XLogP0.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.55
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 3-(1-hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 3-(1-hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol (CID 12547582) is 3-(1-hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 3-(1-hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 3-(1-hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol is CC(O)C1C2C=CC(C2)C1O.
What is the InChIKey of 3-(1-hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is KPBURJLUVUYHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-5(10)8-6-2-3-7(4-6)9(8)11/h2-3,5-11H,4H2,1H3.
What are the key properties of 3-(1-hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol?
3-(1-hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 154.21 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)bicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 12547582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).