methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate

C22H18O6 — CID 23655159

IUPACmethyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate
SMILESCOC(=O)c1ccc2cc(CCc3cc4ccc(C(=O)OC)cc4o3)oc2c1
InChIInChI=1S/C22H18O6/c1-25-21(23)15-5-3-13-9-17(27-19(13)11-15)7-8-18-10-14-4-6-16(22(24)26-2)12-20(14)28-18/h3-6,9-12H,7-8H2,1-2H3
InChIKeyNJKUITIJJBOWGT-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.54
Rot. Bonds5

About methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate

methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate (PubChem CID 23655159) has the molecular formula C22H18O6 and a molecular weight of 378.38 g/mol. Its IUPAC name is methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate
PubChem CID23655159
Molecular FormulaC22H18O6
Molecular Weight378.38 g/mol
Exact Mass378.11
IUPAC Namemethyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate
SMILESCOC(=O)c1ccc2cc(CCc3cc4ccc(C(=O)OC)cc4o3)oc2c1
InChIInChI=1S/C22H18O6/c1-25-21(23)15-5-3-13-9-17(27-19(13)11-15)7-8-18-10-14-4-6-16(22(24)26-2)12-20(14)28-18/h3-6,9-12H,7-8H2,1-2H3
InChIKeyNJKUITIJJBOWGT-UHFFFAOYSA-N
XLogP4.54
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate
CID 58897575
methyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate
CID 90888890
(6-methoxycarbonyl-1-benzofuran-2-carbonyl)oxymethylphosphonic acid
CID 71577616
2-(methylaminomethyl)-1-benzofuran-6-carboxylic acid
CID 117179444
2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid
CID 117179469
methyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate
CID 91466477
methyl 3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-oxochromene-7-carboxylate
CID 134912242
2-[2-[[(3S)-3-methoxypyrrolidine-1-carbonyl]amino]ethyl]-1-benzofuran-6-carboxylic acid
CID 167772979
methyl 2-(diethoxymethyl)-1-benzofuran-5-carboxylate
CID 22481762
methyl 2-octyl-1,3-benzoxazole-6-carboxylate
CID 10732176
sodium;dichloropalladium;methanol;methyl 4-bromo-3-hydroxybenzoate;methyl 2-propyl-1-benzofuran-6-carboxylate;pent-1-yne;2-propyl-1-benzofuran-6-carboxylic acid;bis(triphenylphosphane);hydroxide
CID 157132204
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate?
The IUPAC name of methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate (CID 23655159) is methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate.
What is the SMILES notation for methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate?
The canonical SMILES for methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate is COC(=O)c1ccc2cc(CCc3cc4ccc(C(=O)OC)cc4o3)oc2c1.
What is the InChIKey of methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate?
The InChIKey is NJKUITIJJBOWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O6/c1-25-21(23)15-5-3-13-9-17(27-19(13)11-15)7-8-18-10-14-4-6-16(22(24)26-2)12-20(14)28-18/h3-6,9-12H,7-8H2,1-2H3.
What are the key properties of methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate?
methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate has a molecular weight of 378.38 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate is sourced from PubChem (CID 23655159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).