ethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate

C20H18O6 — CID 39411894

IUPACethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COc1ccc(C=O)cc1OC
InChIInChI=1S/C20H18O6/c1-3-24-20(22)19-15(14-6-4-5-7-16(14)26-19)12-25-17-9-8-13(11-21)10-18(17)23-2/h4-11H,3,12H2,1-2H3
InChIKeyGUYBMPKBIQQOBV-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.01
Rot. Bonds7

About ethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate

ethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate (PubChem CID 39411894) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is ethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate
PubChem CID39411894
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Nameethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COc1ccc(C=O)cc1OC
InChIInChI=1S/C20H18O6/c1-3-24-20(22)19-15(14-6-4-5-7-16(14)26-19)12-25-17-9-8-13(11-21)10-18(17)23-2/h4-11H,3,12H2,1-2H3
InChIKeyGUYBMPKBIQQOBV-UHFFFAOYSA-N
XLogP4.01
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.01
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

ethyl 3-[(2,3,4-trimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8509793
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
ethyl 3-[(3,5-dimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560186
ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate
CID 16560398
ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560150
ethyl 3-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 16560149
ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate
CID 28913576
2-[4-[(E)-3-(3-ethyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile
CID 8831061
(2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 8858351
ethyl 2-[[2-[2-(4-formyl-2-methoxyphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7753578
ethyl 3-[(5-methylfuran-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8531697
ethyl 3-[[2-(4-chlorophenoxy)acetyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 16560190

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate (CID 39411894) is ethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1COc1ccc(C=O)cc1OC.
What is the InChIKey of ethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate?
The InChIKey is GUYBMPKBIQQOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O6/c1-3-24-20(22)19-15(14-6-4-5-7-16(14)26-19)12-25-17-9-8-13(11-21)10-18(17)23-2/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate?
ethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate has a molecular weight of 354.36 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 39411894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).