ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate

C19H18O5 — CID 90272615

IUPACethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2OC)oc2cc(OC)ccc12
InChIInChI=1S/C19H18O5/c1-4-23-19(20)17-13-10-9-12(21-2)11-16(13)24-18(17)14-7-5-6-8-15(14)22-3/h5-11H,4H2,1-3H3
InChIKeyKZDPMZSVKNHCSA-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.29
Rot. Bonds5

About ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate

ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate (PubChem CID 90272615) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate
PubChem CID90272615
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Nameethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2OC)oc2cc(OC)ccc12
InChIInChI=1S/C19H18O5/c1-4-23-19(20)17-13-10-9-12(21-2)11-16(13)24-18(17)14-7-5-6-8-15(14)22-3/h5-11H,4H2,1-3H3
InChIKeyKZDPMZSVKNHCSA-UHFFFAOYSA-N
XLogP4.29
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxyphenyl)-[6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-yl]methanone
CID 67680881
ethyl 7-(furan-2-carbonyloxy)-3-(2-methoxyphenyl)-4-oxochromene-2-carboxylate
CID 1303888
tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
CID 11733003
diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate
CID 101470287
ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 22831688
ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate
CID 139291625
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 57356240
ethyl 2-(2-methylphenyl)-4-oxochromene-3-carboxylate
CID 154714903
3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one
CID 86225439
ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
CID 13288104
carbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 91364556
ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate
CID 10565518

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate (CID 90272615) is ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate is CCOC(=O)c1c(-c2ccccc2OC)oc2cc(OC)ccc12.
What is the InChIKey of ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate?
The InChIKey is KZDPMZSVKNHCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-4-23-19(20)17-13-10-9-12(21-2)11-16(13)24-18(17)14-7-5-6-8-15(14)22-3/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate?
ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate is sourced from PubChem (CID 90272615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).