4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one

C16H14O5 — CID 71966699

IUPAC4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one
SMILESCC1=CC(OC=C2C(=O)OCC2c2ccccc2)OC1=O
InChIInChI=1S/C16H14O5/c1-10-7-14(21-15(10)17)19-9-13-12(8-20-16(13)18)11-5-3-2-4-6-11/h2-7,9,12,14H,8H2,1H3
InChIKeyAODWMVPZPJABCD-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.06
Rot. Bonds3

About 4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one

4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one (PubChem CID 71966699) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one.

Molecular Properties

Compound Name4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one
PubChem CID71966699
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one
SMILESCC1=CC(OC=C2C(=O)OCC2c2ccccc2)OC1=O
InChIInChI=1S/C16H14O5/c1-10-7-14(21-15(10)17)19-9-13-12(8-20-16(13)18)11-5-3-2-4-6-11/h2-7,9,12,14H,8H2,1H3
InChIKeyAODWMVPZPJABCD-UHFFFAOYSA-N
XLogP2.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z,4S)-3-(hydroxymethylidene)-4-phenyloxolan-2-one
CID 6339971
(3Z)-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one
CID 70873306
(3E)-5-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]oxan-2-one
CID 143118726
(3Z,3aR,4R,8bR)-4-hydroxy-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one
CID 132565358
(3E,3aS,6aS)-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one
CID 10900976
(3E,3aR,6aR)-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-6,6a-dihydro-3aH-cyclopenta[b]furan-2-one
CID 11806992
(4Z,7E)-2,6-dimethyl-7-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3,6-dihydro-2H-oxocin-8-one
CID 143088484
(1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one
CID 139496569
(5E)-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-9-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),10-dien-4-one
CID 90069200
(4S)-4-phenyloxolane-2,3-dione
CID 129383036
4-hydroxy-5,8-dimethyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one
CID 162947536
(3E)-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-2-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrole-1-carboxylic acid
CID 130364172

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one?
The IUPAC name of 4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one (CID 71966699) is 4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one.
What is the SMILES notation for 4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one?
The canonical SMILES for 4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one is CC1=CC(OC=C2C(=O)OCC2c2ccccc2)OC1=O.
What is the InChIKey of 4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one?
The InChIKey is AODWMVPZPJABCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-10-7-14(21-15(10)17)19-9-13-12(8-20-16(13)18)11-5-3-2-4-6-11/h2-7,9,12,14H,8H2,1H3.
What are the key properties of 4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one?
4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one has a molecular weight of 286.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-oxo-4-phenyloxolan-3-ylidene)methoxy]-2H-furan-5-one is sourced from PubChem (CID 71966699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).