3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal

C16H16O4 — CID 117433473

IUPAC3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal
SMILESCOc1c2cc(C)oc2c(CCC=O)c2cc(C)oc12
InChIInChI=1S/C16H16O4/c1-9-7-12-11(5-4-6-17)14-13(8-10(2)19-14)15(18-3)16(12)20-9/h6-8H,4-5H2,1-3H3
InChIKeyNASQIBDUHFWOBZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.94
Rot. Bonds4

About 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal

3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal (PubChem CID 117433473) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal.

Molecular Properties

Compound Name3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal
PubChem CID117433473
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal
SMILESCOc1c2cc(C)oc2c(CCC=O)c2cc(C)oc12
InChIInChI=1S/C16H16O4/c1-9-7-12-11(5-4-6-17)14-13(8-10(2)19-14)15(18-3)16(12)20-9/h6-8H,4-5H2,1-3H3
InChIKeyNASQIBDUHFWOBZ-UHFFFAOYSA-N
XLogP3.94
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal 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-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine
CID 117435826
3-(2,3-dimethoxy-6-methylphenyl)propanal
CID 117297640
3-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)propanal
CID 117439561
8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol
CID 117404601
3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid
CID 115010470
3-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)propanal
CID 117390156
3-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)propanal
CID 117481967
[3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117498693
6-bromo-5,7,8-trimethoxy-2-oxochromene-3-carbaldehyde
CID 134911721
3-(5-bromo-2,3-difluoro-6-methoxyphenyl)propanal
CID 117447246
6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid
CID 84686462
3-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)propanal
CID 117434961

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal?
The IUPAC name of 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal (CID 117433473) is 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal.
What is the SMILES notation for 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal?
The canonical SMILES for 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal is COc1c2cc(C)oc2c(CCC=O)c2cc(C)oc12.
What is the InChIKey of 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal?
The InChIKey is NASQIBDUHFWOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-9-7-12-11(5-4-6-17)14-13(8-10(2)19-14)15(18-3)16(12)20-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal?
3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal has a molecular weight of 272.30 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanal is sourced from PubChem (CID 117433473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).