4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol

C15H20O3 — CID 85204875

IUPAC4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
SMILESOC(C=CCOC1CCCCO1)c1ccccc1
InChIInChI=1S/C15H20O3/c16-14(13-7-2-1-3-8-13)9-6-12-18-15-10-4-5-11-17-15/h1-3,6-9,14-16H,4-5,10-12H2
InChIKeyQZDDLBWVPDGUAI-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.82
Rot. Bonds5

About 4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol

4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol (PubChem CID 85204875) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol.

Molecular Properties

Compound Name4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
PubChem CID85204875
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
SMILESOC(C=CCOC1CCCCO1)c1ccccc1
InChIInChI=1S/C15H20O3/c16-14(13-7-2-1-3-8-13)9-6-12-18-15-10-4-5-11-17-15/h1-3,6-9,14-16H,4-5,10-12H2
InChIKeyQZDDLBWVPDGUAI-UHFFFAOYSA-N
XLogP2.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol?
The IUPAC name of 4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol (CID 85204875) is 4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol.
What is the SMILES notation for 4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol?
The canonical SMILES for 4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol is OC(C=CCOC1CCCCO1)c1ccccc1.
What is the InChIKey of 4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol?
The InChIKey is QZDDLBWVPDGUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-14(13-7-2-1-3-8-13)9-6-12-18-15-10-4-5-11-17-15/h1-3,6-9,14-16H,4-5,10-12H2.
What are the key properties of 4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol?
4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol has a molecular weight of 248.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol is sourced from PubChem (CID 85204875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).