2-methoxy-3,4-diphenyl-2H-furan-5-one

C17H14O3 — CID 12691708

IUPAC2-methoxy-3,4-diphenyl-2H-furan-5-one
SMILESCOC1OC(=O)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C17H14O3/c1-19-17-15(13-10-6-3-7-11-13)14(16(18)20-17)12-8-4-2-5-9-12/h2-11,17H,1H3
InChIKeyPBMVOYYVSLPXLQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.13
Rot. Bonds3

About 2-methoxy-3,4-diphenyl-2H-furan-5-one

2-methoxy-3,4-diphenyl-2H-furan-5-one (PubChem CID 12691708) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methoxy-3,4-diphenyl-2H-furan-5-one.

Molecular Properties

Compound Name2-methoxy-3,4-diphenyl-2H-furan-5-one
PubChem CID12691708
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name2-methoxy-3,4-diphenyl-2H-furan-5-one
SMILESCOC1OC(=O)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C17H14O3/c1-19-17-15(13-10-6-3-7-11-13)14(16(18)20-17)12-8-4-2-5-9-12/h2-11,17H,1H3
InChIKeyPBMVOYYVSLPXLQ-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.13
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-3,4-diphenyl-2H-furan-5-one?
The IUPAC name of 2-methoxy-3,4-diphenyl-2H-furan-5-one (CID 12691708) is 2-methoxy-3,4-diphenyl-2H-furan-5-one.
What is the SMILES notation for 2-methoxy-3,4-diphenyl-2H-furan-5-one?
The canonical SMILES for 2-methoxy-3,4-diphenyl-2H-furan-5-one is COC1OC(=O)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 2-methoxy-3,4-diphenyl-2H-furan-5-one?
The InChIKey is PBMVOYYVSLPXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-19-17-15(13-10-6-3-7-11-13)14(16(18)20-17)12-8-4-2-5-9-12/h2-11,17H,1H3.
What are the key properties of 2-methoxy-3,4-diphenyl-2H-furan-5-one?
2-methoxy-3,4-diphenyl-2H-furan-5-one has a molecular weight of 266.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,4-diphenyl-2H-furan-5-one is sourced from PubChem (CID 12691708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).