2-methoxy-2,4,5-triphenylfuran-3-one

C23H18O3 — CID 25194947

IUPAC2-methoxy-2,4,5-triphenylfuran-3-one
SMILESCOC1(c2ccccc2)OC(c2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C23H18O3/c1-25-23(19-15-9-4-10-16-19)22(24)20(17-11-5-2-6-12-17)21(26-23)18-13-7-3-8-14-18/h2-16H,1H3
InChIKeyOBUGNIGMLPKNTB-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.65
Rot. Bonds4

About 2-methoxy-2,4,5-triphenylfuran-3-one

2-methoxy-2,4,5-triphenylfuran-3-one (PubChem CID 25194947) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-methoxy-2,4,5-triphenylfuran-3-one.

Molecular Properties

Compound Name2-methoxy-2,4,5-triphenylfuran-3-one
PubChem CID25194947
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name2-methoxy-2,4,5-triphenylfuran-3-one
SMILESCOC1(c2ccccc2)OC(c2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C23H18O3/c1-25-23(19-15-9-4-10-16-19)22(24)20(17-11-5-2-6-12-17)21(26-23)18-13-7-3-8-14-18/h2-16H,1H3
InChIKeyOBUGNIGMLPKNTB-UHFFFAOYSA-N
XLogP4.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,4,5-triphenylfuran-3-one?
The IUPAC name of 2-methoxy-2,4,5-triphenylfuran-3-one (CID 25194947) is 2-methoxy-2,4,5-triphenylfuran-3-one.
What is the SMILES notation for 2-methoxy-2,4,5-triphenylfuran-3-one?
The canonical SMILES for 2-methoxy-2,4,5-triphenylfuran-3-one is COC1(c2ccccc2)OC(c2ccccc2)=C(c2ccccc2)C1=O.
What is the InChIKey of 2-methoxy-2,4,5-triphenylfuran-3-one?
The InChIKey is OBUGNIGMLPKNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3/c1-25-23(19-15-9-4-10-16-19)22(24)20(17-11-5-2-6-12-17)21(26-23)18-13-7-3-8-14-18/h2-16H,1H3.
What are the key properties of 2-methoxy-2,4,5-triphenylfuran-3-one?
2-methoxy-2,4,5-triphenylfuran-3-one has a molecular weight of 342.39 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,4,5-triphenylfuran-3-one is sourced from PubChem (CID 25194947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).