2-[(4E)-4-benzylideneoxolan-3-yl]ethanol

C13H16O2 — CID 102298221

IUPAC2-[(4E)-4-benzylideneoxolan-3-yl]ethanol
SMILESOCCC1COC/C1=C/c1ccccc1
InChIInChI=1S/C13H16O2/c14-7-6-12-9-15-10-13(12)8-11-4-2-1-3-5-11/h1-5,8,12,14H,6-7,9-10H2/b13-8-
InChIKeyGVHWSCMTGRVFLV-JYRVWZFOSA-N
MW204.27 g/mol
LogP2.10
Rot. Bonds3

About 2-[(4E)-4-benzylideneoxolan-3-yl]ethanol

2-[(4E)-4-benzylideneoxolan-3-yl]ethanol (PubChem CID 102298221) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[(4E)-4-benzylideneoxolan-3-yl]ethanol.

Molecular Properties

Compound Name2-[(4E)-4-benzylideneoxolan-3-yl]ethanol
PubChem CID102298221
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-[(4E)-4-benzylideneoxolan-3-yl]ethanol
SMILESOCCC1COC/C1=C/c1ccccc1
InChIInChI=1S/C13H16O2/c14-7-6-12-9-15-10-13(12)8-11-4-2-1-3-5-11/h1-5,8,12,14H,6-7,9-10H2/b13-8-
InChIKeyGVHWSCMTGRVFLV-JYRVWZFOSA-N
XLogP2.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4E)-4-benzylideneoxolan-3-yl]ethanol 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 2-[(4E)-4-benzylideneoxolan-3-yl]ethanol?
The IUPAC name of 2-[(4E)-4-benzylideneoxolan-3-yl]ethanol (CID 102298221) is 2-[(4E)-4-benzylideneoxolan-3-yl]ethanol.
What is the SMILES notation for 2-[(4E)-4-benzylideneoxolan-3-yl]ethanol?
The canonical SMILES for 2-[(4E)-4-benzylideneoxolan-3-yl]ethanol is OCCC1COC/C1=C/c1ccccc1.
What is the InChIKey of 2-[(4E)-4-benzylideneoxolan-3-yl]ethanol?
The InChIKey is GVHWSCMTGRVFLV-JYRVWZFOSA-N. The full InChI is InChI=1S/C13H16O2/c14-7-6-12-9-15-10-13(12)8-11-4-2-1-3-5-11/h1-5,8,12,14H,6-7,9-10H2/b13-8-.
What are the key properties of 2-[(4E)-4-benzylideneoxolan-3-yl]ethanol?
2-[(4E)-4-benzylideneoxolan-3-yl]ethanol has a molecular weight of 204.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-benzylideneoxolan-3-yl]ethanol is sourced from PubChem (CID 102298221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).