2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde

C25H22O6 — CID 141261093

IUPAC2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde
SMILESCOc1ccc(-c2oc3ccc(C=O)cc3c2-c2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C25H22O6/c1-27-17-8-6-16(7-9-17)23-22(19-13-15(14-26)5-11-20(19)31-23)18-10-12-21(28-2)25(30-4)24(18)29-3/h5-14H,1-4H3
InChIKeyQGGRTFITRCLAAT-UHFFFAOYSA-N
MW418.45 g/mol
LogP5.61
Rot. Bonds7

About 2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde

2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde (PubChem CID 141261093) has the molecular formula C25H22O6 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde
PubChem CID141261093
Molecular FormulaC25H22O6
Molecular Weight418.45 g/mol
Exact Mass418.14
IUPAC Name2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde
SMILESCOc1ccc(-c2oc3ccc(C=O)cc3c2-c2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C25H22O6/c1-27-17-8-6-16(7-9-17)23-22(19-13-15(14-26)5-11-20(19)31-23)18-10-12-21(28-2)25(30-4)24(18)29-3/h5-14H,1-4H3
InChIKeyQGGRTFITRCLAAT-UHFFFAOYSA-N
XLogP5.61
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.45
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran
CID 141261100
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686
4-fluoro-3-(4-methoxyphenyl)benzaldehyde
CID 39231865
4-chloro-3-(4-methoxyphenyl)benzaldehyde
CID 22391389
3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran
CID 89479970
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde
CID 101191767
4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
2-[7-(4-methoxyphenyl)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]furo[2,3-e][1]benzofuran-8-yl]acetic acid
CID 162938419
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
CID 58610952

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde (CID 141261093) is 2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde is COc1ccc(-c2oc3ccc(C=O)cc3c2-c2ccc(OC)c(OC)c2OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde?
The InChIKey is QGGRTFITRCLAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O6/c1-27-17-8-6-16(7-9-17)23-22(19-13-15(14-26)5-11-20(19)31-23)18-10-12-21(28-2)25(30-4)24(18)29-3/h5-14H,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde?
2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde has a molecular weight of 418.45 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 141261093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).