5,7-dimethoxy-2-phenyl-2H-1-benzofuran-4-one

C16H14O4 — CID 154641182

IUPAC5,7-dimethoxy-2-phenyl-2H-1-benzofuran-4-one
SMILESCOC1=CC(OC)=C2OC(c3ccccc3)C=C2C1=O
InChIInChI=1S/C16H14O4/c1-18-13-9-14(19-2)16-11(15(13)17)8-12(20-16)10-6-4-3-5-7-10/h3-9,12H,1-2H3
InChIKeyIWYMSRIJUTUXNZ-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.66
Rot. Bonds3

About 5,7-dimethoxy-2-phenyl-2H-1-benzofuran-4-one

5,7-dimethoxy-2-phenyl-2H-1-benzofuran-4-one (PubChem CID 154641182) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5,7-dimethoxy-2-phenyl-2H-1-benzofuran-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-2-phenyl-2H-1-benzofuran-4-one
PubChem CID154641182
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name5,7-dimethoxy-2-phenyl-2H-1-benzofuran-4-one
SMILESCOC1=CC(OC)=C2OC(c3ccccc3)C=C2C1=O
InChIInChI=1S/C16H14O4/c1-18-13-9-14(19-2)16-11(15(13)17)8-12(20-16)10-6-4-3-5-7-10/h3-9,12H,1-2H3
InChIKeyIWYMSRIJUTUXNZ-UHFFFAOYSA-N
XLogP2.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-trimethylsilyl-2H-furan-5-one
CID 11241759
4-nitroso-2-phenyl-2H-furan-5-one
CID 143051347
4-methoxy-2-phenyl-1,3-dioxole
CID 141045608
6-(4-methoxyphenyl)-2,4-diphenyl-2H-pyran
CID 57376774
4-methoxy-2-(4-methoxyphenyl)-2H-chromene
CID 154356806
(2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one
CID 98158179
9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one
CID 132943016
7-methyl-2,5-diphenyl-3,5-dihydro-2H-1,4-dioxepine
CID 51031693
2-methoxy-5-(2-methylphenyl)cyclohexa-2,5-diene-1,4-dione
CID 10489521
(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
[(2R,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-5,8-dioxo-3,4-dihydro-2H-chromen-3-yl] acetate
CID 102211562
(2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one
CID 71421512

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-phenyl-2H-1-benzofuran-4-one?
The IUPAC name of 5,7-dimethoxy-2-phenyl-2H-1-benzofuran-4-one (CID 154641182) is 5,7-dimethoxy-2-phenyl-2H-1-benzofuran-4-one.
What is the SMILES notation for 5,7-dimethoxy-2-phenyl-2H-1-benzofuran-4-one?
The canonical SMILES for 5,7-dimethoxy-2-phenyl-2H-1-benzofuran-4-one is COC1=CC(OC)=C2OC(c3ccccc3)C=C2C1=O.
What is the InChIKey of 5,7-dimethoxy-2-phenyl-2H-1-benzofuran-4-one?
The InChIKey is IWYMSRIJUTUXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-18-13-9-14(19-2)16-11(15(13)17)8-12(20-16)10-6-4-3-5-7-10/h3-9,12H,1-2H3.
What are the key properties of 5,7-dimethoxy-2-phenyl-2H-1-benzofuran-4-one?
5,7-dimethoxy-2-phenyl-2H-1-benzofuran-4-one has a molecular weight of 270.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-phenyl-2H-1-benzofuran-4-one is sourced from PubChem (CID 154641182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).