methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate

C18H16O7 — CID 24626688

IUPACmethyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)Cc1coc2cc(OC)ccc12
InChIInChI=1S/C18H16O7/c1-21-12-3-4-13-11(9-24-15(13)8-12)7-17(19)25-10-16-14(5-6-23-16)18(20)22-2/h3-6,8-9H,7,10H2,1-2H3
InChIKeyAHCGVDMKPRDEQH-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.11
Rot. Bonds6

About methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate

methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate (PubChem CID 24626688) has the molecular formula C18H16O7 and a molecular weight of 344.32 g/mol. Its IUPAC name is methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate
PubChem CID24626688
Molecular FormulaC18H16O7
Molecular Weight344.32 g/mol
Exact Mass344.09
IUPAC Namemethyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)Cc1coc2cc(OC)ccc12
InChIInChI=1S/C18H16O7/c1-21-12-3-4-13-11(9-24-15(13)8-12)7-17(19)25-10-16-14(5-6-23-16)18(20)22-2/h3-6,8-9H,7,10H2,1-2H3
InChIKeyAHCGVDMKPRDEQH-UHFFFAOYSA-N
XLogP3.11
TPSA88.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate with MolForge

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Related Compounds

benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902091
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538621
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2128721
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7488971
(3-cyanophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901957
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901969
(5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 9168101
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 32971967
(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 92542869
(1,3-dioxoisoindol-2-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4529583

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate (CID 24626688) is methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate is COC(=O)c1ccoc1COC(=O)Cc1coc2cc(OC)ccc12.
What is the InChIKey of methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate?
The InChIKey is AHCGVDMKPRDEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O7/c1-21-12-3-4-13-11(9-24-15(13)8-12)7-17(19)25-10-16-14(5-6-23-16)18(20)22-2/h3-6,8-9H,7,10H2,1-2H3.
What are the key properties of methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate?
methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate has a molecular weight of 344.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate is sourced from PubChem (CID 24626688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).