ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate

C20H18O6 — CID 16560150

IUPACethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H18O6/c1-3-24-20(22)18-16(15-6-4-5-7-17(15)26-18)12-25-19(21)13-8-10-14(23-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyQOUPAFUXIFIDGW-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.98
Rot. Bonds6

About ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate

ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate (PubChem CID 16560150) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
PubChem CID16560150
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Nameethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H18O6/c1-3-24-20(22)18-16(15-6-4-5-7-17(15)26-18)12-25-19(21)13-8-10-14(23-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyQOUPAFUXIFIDGW-UHFFFAOYSA-N
XLogP3.98
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[(3,5-dimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560186
ethyl 3-[[4-(hydroxymethyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 8535590
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7961098
ethyl 3-[(5-methylfuran-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8531697
ethyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 16560210
ethyl 3-[(2,3,4-trimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8509793
(4-methoxycarbonylphenyl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2660302
ethyl 3-[(5-methylthiophene-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560148
2-(4-methoxyphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7550808
ethyl 3-[[3-(carbamoylamino)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 30019126
ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate
CID 16560398
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-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate (CID 16560150) is ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate?
The InChIKey is QOUPAFUXIFIDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O6/c1-3-24-20(22)18-16(15-6-4-5-7-17(15)26-18)12-25-19(21)13-8-10-14(23-2)11-9-13/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate?
ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate has a molecular weight of 354.36 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 16560150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).