ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate

C18H14O5 — CID 15170239

IUPACethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2c(ccc3oc4cc(CO)ccc4c32)o1
InChIInChI=1S/C18H14O5/c1-2-21-18(20)16-8-12-13(22-16)5-6-14-17(12)11-4-3-10(9-19)7-15(11)23-14/h3-8,19H,2,9H2,1H3
InChIKeyZGBPGXDKEAHYQU-UHFFFAOYSA-N
MW310.31 g/mol
LogP4.00
Rot. Bonds3

About ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate

ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate (PubChem CID 15170239) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate
PubChem CID15170239
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Nameethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2c(ccc3oc4cc(CO)ccc4c32)o1
InChIInChI=1S/C18H14O5/c1-2-21-18(20)16-8-12-13(22-16)5-6-14-17(12)11-4-3-10(9-19)7-15(11)23-14/h3-8,19H,2,9H2,1H3
InChIKeyZGBPGXDKEAHYQU-UHFFFAOYSA-N
XLogP4.00
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate
CID 15170240
ethyl 7-ethyl-4-oxochromene-2-carboxylate
CID 22924455
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802
ethyl 7-hydroxy-4-oxochromene-2-carboxylate;7-hydroxy-2-(hydroxymethyl)chromen-4-one
CID 160975514
ethyl 7-iodo-4-oxochromene-2-carboxylate
CID 119089265
ethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate
CID 15385144
ethyl 5-bromo-4-nitro-1-benzofuran-2-carboxylate
CID 134125489
ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate
CID 23049270
1,7-diethyldibenzofuran
CID 135251716
ethyl dibenzofuran-1-carboxylate
CID 11858911
ethyl 5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzofuran-2-carboxylate
CID 142499891

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate?
The IUPAC name of ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate (CID 15170239) is ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate?
The canonical SMILES for ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate is CCOC(=O)c1cc2c(ccc3oc4cc(CO)ccc4c32)o1.
What is the InChIKey of ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate?
The InChIKey is ZGBPGXDKEAHYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-2-21-18(20)16-8-12-13(22-16)5-6-14-17(12)11-4-3-10(9-19)7-15(11)23-14/h3-8,19H,2,9H2,1H3.
What are the key properties of ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate?
ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate is sourced from PubChem (CID 15170239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).