methyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

C19H18O7 — CID 988715

IUPACmethyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1cc(COc2ccc3oc(C)c(C(=O)OC)c3c2)c(C)o1
InChIInChI=1S/C19H18O7/c1-10-12(7-16(25-10)18(20)22-3)9-24-13-5-6-15-14(8-13)17(11(2)26-15)19(21)23-4/h5-8H,9H2,1-4H3
InChIKeyRKEHNDHIIBVEJV-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.79
Rot. Bonds5

About methyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

methyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 988715) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is methyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
PubChem CID988715
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Namemethyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1cc(COc2ccc3oc(C)c(C(=O)OC)c3c2)c(C)o1
InChIInChI=1S/C19H18O7/c1-10-12(7-16(25-10)18(20)22-3)9-24-13-5-6-15-14(8-13)17(11(2)26-15)19(21)23-4/h5-8H,9H2,1-4H3
InChIKeyRKEHNDHIIBVEJV-UHFFFAOYSA-N
XLogP3.79
TPSA88.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate (CID 988715) is methyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate is COC(=O)c1cc(COc2ccc3oc(C)c(C(=O)OC)c3c2)c(C)o1.
What is the InChIKey of methyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is RKEHNDHIIBVEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O7/c1-10-12(7-16(25-10)18(20)22-3)9-24-13-5-6-15-14(8-13)17(11(2)26-15)19(21)23-4/h5-8H,9H2,1-4H3.
What are the key properties of methyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate?
methyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 358.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(5-methoxycarbonyl-2-methylfuran-3-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 988715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).