6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one

C26H22O5 — CID 4861266

IUPAC6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one
SMILESCOc1cccc(COc2ccc3c(c2)OC(=CC=Cc2ccccc2OC)C3=O)c1
InChIInChI=1S/C26H22O5/c1-28-20-10-5-7-18(15-20)17-30-21-13-14-22-25(16-21)31-24(26(22)27)12-6-9-19-8-3-4-11-23(19)29-2/h3-16H,17H2,1-2H3
InChIKeyTYNHIUVZXBJHOD-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.46
Rot. Bonds7

About 6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one

6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one (PubChem CID 4861266) has the molecular formula C26H22O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one
PubChem CID4861266
Molecular FormulaC26H22O5
Molecular Weight414.46 g/mol
Exact Mass414.15
IUPAC Name6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one
SMILESCOc1cccc(COc2ccc3c(c2)OC(=CC=Cc2ccccc2OC)C3=O)c1
InChIInChI=1S/C26H22O5/c1-28-20-10-5-7-18(15-20)17-30-21-13-14-22-25(16-21)31-24(26(22)27)12-6-9-19-8-3-4-11-23(19)29-2/h3-16H,17H2,1-2H3
InChIKeyTYNHIUVZXBJHOD-UHFFFAOYSA-N
XLogP5.46
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide
CID 6220488
2-[(5-bromo-2-methoxyphenyl)methylidene]-6-[(3-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 4861249
tert-butyl 2-[[2-[3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
CID 5203073
6-[(3-chlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 3691846
2-[(3-chlorophenyl)methylidene]-6-[(3-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 4861252
(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 19261037
ethyl (2R)-2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate
CID 25427036
ethyl (2S)-2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]-2-phenylacetate
CID 2026437
(2Z)-2-[(2-methoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 6316520
[(2E)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl] thiophene-2-carboxylate
CID 2032951
(2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 2025832
2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 4612897

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one?
The IUPAC name of 6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one (CID 4861266) is 6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one.
What is the SMILES notation for 6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one?
The canonical SMILES for 6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one is COc1cccc(COc2ccc3c(c2)OC(=CC=Cc2ccccc2OC)C3=O)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one?
The InChIKey is TYNHIUVZXBJHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O5/c1-28-20-10-5-7-18(15-20)17-30-21-13-14-22-25(16-21)31-24(26(22)27)12-6-9-19-8-3-4-11-23(19)29-2/h3-16H,17H2,1-2H3.
What are the key properties of 6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one?
6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one has a molecular weight of 414.46 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one is sourced from PubChem (CID 4861266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).