ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate

C22H22O6 — CID 16560398

IUPACethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)CCc1ccccc1OC
InChIInChI=1S/C22H22O6/c1-3-26-22(24)21-17(16-9-5-7-11-19(16)28-21)14-27-20(23)13-12-15-8-4-6-10-18(15)25-2/h4-11H,3,12-14H2,1-2H3
InChIKeyZPLIGLRJLZUBJS-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.29
Rot. Bonds8

About ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate

ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate (PubChem CID 16560398) has the molecular formula C22H22O6 and a molecular weight of 382.41 g/mol. Its IUPAC name is ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate
PubChem CID16560398
Molecular FormulaC22H22O6
Molecular Weight382.41 g/mol
Exact Mass382.14
IUPAC Nameethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)CCc1ccccc1OC
InChIInChI=1S/C22H22O6/c1-3-26-22(24)21-17(16-9-5-7-11-19(16)28-21)14-27-20(23)13-12-15-8-4-6-10-18(15)25-2/h4-11H,3,12-14H2,1-2H3
InChIKeyZPLIGLRJLZUBJS-UHFFFAOYSA-N
XLogP4.29
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[(2,3,4-trimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8509793
ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560150
ethyl 3-[(3,5-dimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560186
ethyl 3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 8510356
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
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
ethyl 3-[(4-formyl-2-methoxyphenoxy)methyl]-1-benzofuran-2-carboxylate
CID 39411894
ethyl 3-[(5-methylthiophene-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560148
ethyl 3-[[4-(hydroxymethyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 8535590
(2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 8858351
ethyl 3-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 16560149

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate (CID 16560398) is ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1COC(=O)CCc1ccccc1OC.
What is the InChIKey of ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate?
The InChIKey is ZPLIGLRJLZUBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O6/c1-3-26-22(24)21-17(16-9-5-7-11-19(16)28-21)14-27-20(23)13-12-15-8-4-6-10-18(15)25-2/h4-11H,3,12-14H2,1-2H3.
What are the key properties of ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate?
ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate has a molecular weight of 382.41 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 16560398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).