(2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate

C20H20O6 — CID 8858351

IUPAC(2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)OCc2cc(OC)ccc2OC)oc2ccccc12
InChIInChI=1S/C20H20O6/c1-22-12-16-15-6-4-5-7-18(15)26-19(16)20(21)25-11-13-10-14(23-2)8-9-17(13)24-3/h4-10H,11-12H2,1-3H3
InChIKeyLIBDLJOKLWEUPL-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.95
Rot. Bonds7

About (2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate

(2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 8858351) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
PubChem CID8858351
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name(2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)OCc2cc(OC)ccc2OC)oc2ccccc12
InChIInChI=1S/C20H20O6/c1-22-12-16-15-6-4-5-7-18(15)26-19(16)20(21)25-11-13-10-14(23-2)8-9-17(13)24-3/h4-10H,11-12H2,1-3H3
InChIKeyLIBDLJOKLWEUPL-UHFFFAOYSA-N
XLogP3.95
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(7-methoxy-2-oxochromen-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551106
(3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 18098570
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551642
2-(4-methoxyphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7550808
ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560150
2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7550802
ethyl 3-[(3,5-dimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560186
ethyl 3-[(2,3,4-trimethoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8509793
(2,5-dimethoxyphenyl)methyl 5-bromo-3-methylfuran-2-carboxylate
CID 78888306
ethyl 3-[3-(2-methoxyphenyl)propanoyloxymethyl]-1-benzofuran-2-carboxylate
CID 16560398
(2,5-dimethoxyphenyl)methyl 1H-indole-3-carboxylate
CID 8644175
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of (2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate (CID 8858351) is (2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for (2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for (2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate is COCc1c(C(=O)OCc2cc(OC)ccc2OC)oc2ccccc12.
What is the InChIKey of (2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The InChIKey is LIBDLJOKLWEUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6/c1-22-12-16-15-6-4-5-7-18(15)26-19(16)20(21)25-11-13-10-14(23-2)8-9-17(13)24-3/h4-10H,11-12H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
(2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 356.37 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 8858351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).