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

C13H12O2 — CID 102338202

IUPAC2-phenyl-3-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1=CC(=O)OC1c1ccccc1
InChIInChI=1S/C13H12O2/c1-2-6-11-9-12(14)15-13(11)10-7-4-3-5-8-10/h2-5,7-9,13H,1,6H2
InChIKeyWIZSQFYHHCNYLG-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.79
Rot. Bonds3

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

2-phenyl-3-prop-2-enyl-2H-furan-5-one (PubChem CID 102338202) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-phenyl-3-prop-2-enyl-2H-furan-5-one.

Molecular Properties

Compound Name2-phenyl-3-prop-2-enyl-2H-furan-5-one
PubChem CID102338202
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name2-phenyl-3-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1=CC(=O)OC1c1ccccc1
InChIInChI=1S/C13H12O2/c1-2-6-11-9-12(14)15-13(11)10-7-4-3-5-8-10/h2-5,7-9,13H,1,6H2
InChIKeyWIZSQFYHHCNYLG-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one
CID 10922728
5-oxo-2-phenyl-2H-furan-3-carboxylic acid
CID 70388760
2-phenyl-3-(trifluoromethyl)-2H-furan-5-one
CID 11287612
(2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one
CID 71421512
(2S)-3-ethoxy-2-phenyl-2H-furan-5-one
CID 102003164
(2R)-3-(benzylamino)-2-phenyl-2H-furan-5-one
CID 25257271
(2R)-3-ethoxy-2-phenyl-2H-furan-5-one
CID 102003165
3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one
CID 102181929
2-phenyl-3-phenyltellanyl-2H-furan-5-one
CID 134932502
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
(2R)-2,6-diphenyl-1,3-dioxin-4-one
CID 806114

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-prop-2-enyl-2H-furan-5-one?
The IUPAC name of 2-phenyl-3-prop-2-enyl-2H-furan-5-one (CID 102338202) is 2-phenyl-3-prop-2-enyl-2H-furan-5-one.
What is the SMILES notation for 2-phenyl-3-prop-2-enyl-2H-furan-5-one?
The canonical SMILES for 2-phenyl-3-prop-2-enyl-2H-furan-5-one is C=CCC1=CC(=O)OC1c1ccccc1.
What is the InChIKey of 2-phenyl-3-prop-2-enyl-2H-furan-5-one?
The InChIKey is WIZSQFYHHCNYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-2-6-11-9-12(14)15-13(11)10-7-4-3-5-8-10/h2-5,7-9,13H,1,6H2.
What are the key properties of 2-phenyl-3-prop-2-enyl-2H-furan-5-one?
2-phenyl-3-prop-2-enyl-2H-furan-5-one has a molecular weight of 200.24 g/mol, XLogP of 2.79, 3 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-2H-furan-5-one is sourced from PubChem (CID 102338202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).