5-[(E)-4-phenylbut-3-enyl]oxolan-3-one

C14H16O2 — CID 10353266

IUPAC5-[(E)-4-phenylbut-3-enyl]oxolan-3-one
SMILESO=C1COC(CC/C=C/c2ccccc2)C1
InChIInChI=1S/C14H16O2/c15-13-10-14(16-11-13)9-5-4-8-12-6-2-1-3-7-12/h1-4,6-8,14H,5,9-11H2/b8-4+
InChIKeyMGYKNMCHIGDYPC-XBXARRHUSA-N
MW216.28 g/mol
LogP2.84
Rot. Bonds4

About 5-[(E)-4-phenylbut-3-enyl]oxolan-3-one

5-[(E)-4-phenylbut-3-enyl]oxolan-3-one (PubChem CID 10353266) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-[(E)-4-phenylbut-3-enyl]oxolan-3-one.

Molecular Properties

Compound Name5-[(E)-4-phenylbut-3-enyl]oxolan-3-one
PubChem CID10353266
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name5-[(E)-4-phenylbut-3-enyl]oxolan-3-one
SMILESO=C1COC(CC/C=C/c2ccccc2)C1
InChIInChI=1S/C14H16O2/c15-13-10-14(16-11-13)9-5-4-8-12-6-2-1-3-7-12/h1-4,6-8,14H,5,9-11H2/b8-4+
InChIKeyMGYKNMCHIGDYPC-XBXARRHUSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-4-phenylbut-3-enyl]oxolan-3-one?
The IUPAC name of 5-[(E)-4-phenylbut-3-enyl]oxolan-3-one (CID 10353266) is 5-[(E)-4-phenylbut-3-enyl]oxolan-3-one.
What is the SMILES notation for 5-[(E)-4-phenylbut-3-enyl]oxolan-3-one?
The canonical SMILES for 5-[(E)-4-phenylbut-3-enyl]oxolan-3-one is O=C1COC(CC/C=C/c2ccccc2)C1.
What is the InChIKey of 5-[(E)-4-phenylbut-3-enyl]oxolan-3-one?
The InChIKey is MGYKNMCHIGDYPC-XBXARRHUSA-N. The full InChI is InChI=1S/C14H16O2/c15-13-10-14(16-11-13)9-5-4-8-12-6-2-1-3-7-12/h1-4,6-8,14H,5,9-11H2/b8-4+.
What are the key properties of 5-[(E)-4-phenylbut-3-enyl]oxolan-3-one?
5-[(E)-4-phenylbut-3-enyl]oxolan-3-one has a molecular weight of 216.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-4-phenylbut-3-enyl]oxolan-3-one is sourced from PubChem (CID 10353266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).