3-ethoxycyclopent-2-en-1-ol

C7H12O2 — CID 72595105

IUPAC3-ethoxycyclopent-2-en-1-ol
SMILESCCOC1=CC(O)CC1
InChIInChI=1S/C7H12O2/c1-2-9-7-4-3-6(8)5-7/h5-6,8H,2-4H2,1H3
InChIKeyYABVQDBDALXZAR-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.06
Rot. Bonds2

About 3-ethoxycyclopent-2-en-1-ol

3-ethoxycyclopent-2-en-1-ol (PubChem CID 72595105) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-ethoxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name3-ethoxycyclopent-2-en-1-ol
PubChem CID72595105
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-ethoxycyclopent-2-en-1-ol
SMILESCCOC1=CC(O)CC1
InChIInChI=1S/C7H12O2/c1-2-9-7-4-3-6(8)5-7/h5-6,8H,2-4H2,1H3
InChIKeyYABVQDBDALXZAR-UHFFFAOYSA-N
XLogP1.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethoxycyclopent-2-en-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethoxycyclopent-2-en-1-ol?
The IUPAC name of 3-ethoxycyclopent-2-en-1-ol (CID 72595105) is 3-ethoxycyclopent-2-en-1-ol.
What is the SMILES notation for 3-ethoxycyclopent-2-en-1-ol?
The canonical SMILES for 3-ethoxycyclopent-2-en-1-ol is CCOC1=CC(O)CC1.
What is the InChIKey of 3-ethoxycyclopent-2-en-1-ol?
The InChIKey is YABVQDBDALXZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-9-7-4-3-6(8)5-7/h5-6,8H,2-4H2,1H3.
What are the key properties of 3-ethoxycyclopent-2-en-1-ol?
3-ethoxycyclopent-2-en-1-ol has a molecular weight of 128.17 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycyclopent-2-en-1-ol is sourced from PubChem (CID 72595105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).