2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one

C16H18O2 — CID 10922728

IUPAC2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one
SMILESC=CCC1=C(CCC)C(=O)OC1c1ccccc1
InChIInChI=1S/C16H18O2/c1-3-8-13-14(9-4-2)16(17)18-15(13)12-10-6-5-7-11-12/h3,5-7,10-11,15H,1,4,8-9H2,2H3
InChIKeyOWZCJEPZAPXMML-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.96
Rot. Bonds5

About 2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one

2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one (PubChem CID 10922728) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one.

Molecular Properties

Compound Name2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one
PubChem CID10922728
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one
SMILESC=CCC1=C(CCC)C(=O)OC1c1ccccc1
InChIInChI=1S/C16H18O2/c1-3-8-13-14(9-4-2)16(17)18-15(13)12-10-6-5-7-11-12/h3,5-7,10-11,15H,1,4,8-9H2,2H3
InChIKeyOWZCJEPZAPXMML-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one?
The IUPAC name of 2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one (CID 10922728) is 2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one.
What is the SMILES notation for 2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one?
The canonical SMILES for 2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one is C=CCC1=C(CCC)C(=O)OC1c1ccccc1.
What is the InChIKey of 2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one?
The InChIKey is OWZCJEPZAPXMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-3-8-13-14(9-4-2)16(17)18-15(13)12-10-6-5-7-11-12/h3,5-7,10-11,15H,1,4,8-9H2,2H3.
What are the key properties of 2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one?
2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one has a molecular weight of 242.32 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one is sourced from PubChem (CID 10922728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).