2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde

C18H16O4 — CID 91807684

IUPAC2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde
SMILESCOc1ccc(C(C=O)c2cc3ccccc3o2)c(OC)c1
InChIInChI=1S/C18H16O4/c1-20-13-7-8-14(17(10-13)21-2)15(11-19)18-9-12-5-3-4-6-16(12)22-18/h3-11,15H,1-2H3
InChIKeyXSKLLWWLJHOBAT-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.78
Rot. Bonds5

About 2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde

2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde (PubChem CID 91807684) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde
PubChem CID91807684
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde
SMILESCOc1ccc(C(C=O)c2cc3ccccc3o2)c(OC)c1
InChIInChI=1S/C18H16O4/c1-20-13-7-8-14(17(10-13)21-2)15(11-19)18-9-12-5-3-4-6-16(12)22-18/h3-11,15H,1-2H3
InChIKeyXSKLLWWLJHOBAT-UHFFFAOYSA-N
XLogP3.78
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethoxyphenyl)propanedial
CID 98587471
N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline
CID 43824329
1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 4556919
N-[1-benzofuran-2-yl(phenyl)methyl]-2,4-dimethoxybenzamide
CID 43035801
2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran
CID 63542413
1-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63091128
[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 8666138
3-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-3-oxopropanal
CID 123189211
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine
CID 67752088
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea
CID 41435507
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde?
The IUPAC name of 2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde (CID 91807684) is 2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde?
The canonical SMILES for 2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde is COc1ccc(C(C=O)c2cc3ccccc3o2)c(OC)c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde?
The InChIKey is XSKLLWWLJHOBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-20-13-7-8-14(17(10-13)21-2)15(11-19)18-9-12-5-3-4-6-16(12)22-18/h3-11,15H,1-2H3.
What are the key properties of 2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde?
2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde has a molecular weight of 296.32 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-2-(2,4-dimethoxyphenyl)acetaldehyde is sourced from PubChem (CID 91807684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).