3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one

C18H16O5 — CID 68978804

IUPAC3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one
SMILESCOC(=C1C(=O)Oc2ccccc21)c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H16O5/c1-20-12-8-11(9-13(10-12)21-2)17(22-3)16-14-6-4-5-7-15(14)23-18(16)19/h4-10H,1-3H3
InChIKeyFJLVZRUAXUTJPI-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.14
Rot. Bonds4

About 3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one

3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one (PubChem CID 68978804) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one.

Molecular Properties

Compound Name3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one
PubChem CID68978804
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one
SMILESCOC(=C1C(=O)Oc2ccccc21)c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H16O5/c1-20-12-8-11(9-13(10-12)21-2)17(22-3)16-14-6-4-5-7-15(14)23-18(16)19/h4-10H,1-3H3
InChIKeyFJLVZRUAXUTJPI-UHFFFAOYSA-N
XLogP3.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-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

Related Compounds

benzo[c][2,1]benzoxaphosphinin-6-yl-(3,5-dimethoxyphenyl)methanone
CID 57001362
dimethyl 2-xanthen-9-ylidenepropanedioate
CID 15263203
5-methoxy-1-benzofuran-2,3-dione
CID 153138791
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
4-methoxy-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-8-one
CID 91064588
2-anilino-1-(3,5-dimethoxyphenyl)ethanone
CID 116555372
(3Z)-3-[1-(4-methylphenyl)ethylidene]chromene-2,4-dione
CID 11437393
N-[6-(diethylamino)benzo[b][1,4]benzoxazepin-8-yl]-3,5-dimethoxybenzamide
CID 46075062
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835
1,3,5-trimethoxybenzene;urea
CID 174919725
methyl 3-[2-(6-oxo-5H-benzo[b][1,4]benzoxazepin-4-yl)ethoxy]benzoate
CID 91377395
N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide
CID 2332485

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one?
The IUPAC name of 3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one (CID 68978804) is 3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one.
What is the SMILES notation for 3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one?
The canonical SMILES for 3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one is COC(=C1C(=O)Oc2ccccc21)c1cc(OC)cc(OC)c1.
What is the InChIKey of 3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one?
The InChIKey is FJLVZRUAXUTJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-20-12-8-11(9-13(10-12)21-2)17(22-3)16-14-6-4-5-7-15(14)23-18(16)19/h4-10H,1-3H3.
What are the key properties of 3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one?
3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one has a molecular weight of 312.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxyphenyl)-methoxymethylidene]-1-benzofuran-2-one is sourced from PubChem (CID 68978804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).