(5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one

C15H14O5 — CID 23955894

IUPAC(5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one
SMILESCOC1=CC(=O)O/C1=C(/OC)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C15H14O5/c1-17-10-8-11(16)19-13(10)14(18-2)15-12(20-15)9-6-4-3-5-7-9/h3-8,12,15H,1-2H3/b14-13+/t12-,15+/m0/s1
InChIKeyRTNGMIUMJUOABT-ONKYJICLSA-N
MW274.27 g/mol
LogP2.07
Rot. Bonds4

About (5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one

(5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one (PubChem CID 23955894) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is (5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one.

Molecular Properties

Compound Name(5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one
PubChem CID23955894
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name(5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one
SMILESCOC1=CC(=O)O/C1=C(/OC)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C15H14O5/c1-17-10-8-11(16)19-13(10)14(18-2)15-12(20-15)9-6-4-3-5-7-9/h3-8,12,15H,1-2H3/b14-13+/t12-,15+/m0/s1
InChIKeyRTNGMIUMJUOABT-ONKYJICLSA-N
XLogP2.07
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one?
The IUPAC name of (5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one (CID 23955894) is (5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one.
What is the SMILES notation for (5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one?
The canonical SMILES for (5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one is COC1=CC(=O)O/C1=C(/OC)[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of (5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one?
The InChIKey is RTNGMIUMJUOABT-ONKYJICLSA-N. The full InChI is InChI=1S/C15H14O5/c1-17-10-8-11(16)19-13(10)14(18-2)15-12(20-15)9-6-4-3-5-7-9/h3-8,12,15H,1-2H3/b14-13+/t12-,15+/m0/s1.
What are the key properties of (5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one?
(5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one has a molecular weight of 274.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-methoxy-5-[methoxy-[(2R,3S)-3-phenyloxiran-2-yl]methylidene]furan-2-one is sourced from PubChem (CID 23955894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).