2-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol

C14H18O2 — CID 10680342

IUPAC2-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol
SMILESC=CCC(/C=C/OCCO)c1ccccc1
InChIInChI=1S/C14H18O2/c1-2-6-13(9-11-16-12-10-15)14-7-4-3-5-8-14/h2-5,7-9,11,13,15H,1,6,10,12H2/b11-9+
InChIKeyKNYWFZCRWNUIGK-PKNBQFBNSA-N
MW218.30 g/mol
LogP2.87
Rot. Bonds7

About 2-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol

2-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol (PubChem CID 10680342) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol.

Molecular Properties

Compound Name2-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol
PubChem CID10680342
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol
SMILESC=CCC(/C=C/OCCO)c1ccccc1
InChIInChI=1S/C14H18O2/c1-2-6-13(9-11-16-12-10-15)14-7-4-3-5-8-14/h2-5,7-9,11,13,15H,1,6,10,12H2/b11-9+
InChIKeyKNYWFZCRWNUIGK-PKNBQFBNSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(1E)-3-phenylhexa-1,5-dienoxy]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-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol?
The IUPAC name of 2-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol (CID 10680342) is 2-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol.
What is the SMILES notation for 2-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol?
The canonical SMILES for 2-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol is C=CCC(/C=C/OCCO)c1ccccc1.
What is the InChIKey of 2-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol?
The InChIKey is KNYWFZCRWNUIGK-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-6-13(9-11-16-12-10-15)14-7-4-3-5-8-14/h2-5,7-9,11,13,15H,1,6,10,12H2/b11-9+.
What are the key properties of 2-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol?
2-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol has a molecular weight of 218.30 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-3-phenylhexa-1,5-dienoxy]ethanol is sourced from PubChem (CID 10680342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).