(2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one

C13H12O2 — CID 71421512

IUPAC(2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1=C[C@@H](c2ccccc2)OC1=O
InChIInChI=1S/C13H12O2/c1-2-6-11-9-12(15-13(11)14)10-7-4-3-5-8-10/h2-5,7-9,12H,1,6H2/t12-/m0/s1
InChIKeyOZOZSWQZOOFZJK-LBPRGKRZSA-N
MW200.24 g/mol
LogP2.79
Rot. Bonds3

About (2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one

(2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one (PubChem CID 71421512) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one
PubChem CID71421512
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name(2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1=C[C@@H](c2ccccc2)OC1=O
InChIInChI=1S/C13H12O2/c1-2-6-11-9-12(15-13(11)14)10-7-4-3-5-8-10/h2-5,7-9,12H,1,6H2/t12-/m0/s1
InChIKeyOZOZSWQZOOFZJK-LBPRGKRZSA-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

Benzyl Benzoate
CID 2345
Benzyl acetate
CID 8785
Benzyl Cinnamate
CID 5273469
Butylphthalide
CID 61361
Methyl Benzoate
CID 7150
Crotoxyphos
CID 5371578
Butyl Benzoate
CID 8698
Hexyl benzoate
CID 23235
Propyl Benzoate
CID 16846
Phenethyl Benzoate
CID 7194
3-Hexenyl benzoate, (3Z)-
CID 5367706
Prenyl benzoate
CID 21265

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one?
The IUPAC name of (2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one (CID 71421512) is (2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one.
What is the SMILES notation for (2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one?
The canonical SMILES for (2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one is C=CCC1=C[C@@H](c2ccccc2)OC1=O.
What is the InChIKey of (2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one?
The InChIKey is OZOZSWQZOOFZJK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H12O2/c1-2-6-11-9-12(15-13(11)14)10-7-4-3-5-8-10/h2-5,7-9,12H,1,6H2/t12-/m0/s1.
What are the key properties of (2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one?
(2S)-2-phenyl-4-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 (2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one is sourced from PubChem (CID 71421512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).