ethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate

C18H14O5 — CID 15170240

IUPACethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2c(ccc3oc4ccc(CO)cc4c32)o1
InChIInChI=1S/C18H14O5/c1-2-21-18(20)16-8-12-14(23-16)5-6-15-17(12)11-7-10(9-19)3-4-13(11)22-15/h3-8,19H,2,9H2,1H3
InChIKeyNHEAIQLBQWUVQD-UHFFFAOYSA-N
MW310.31 g/mol
LogP4.00
Rot. Bonds3

About ethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate

ethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate (PubChem CID 15170240) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is ethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate
PubChem CID15170240
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Nameethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2c(ccc3oc4ccc(CO)cc4c32)o1
InChIInChI=1S/C18H14O5/c1-2-21-18(20)16-8-12-14(23-16)5-6-15-17(12)11-7-10(9-19)3-4-13(11)22-15/h3-8,19H,2,9H2,1H3
InChIKeyNHEAIQLBQWUVQD-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

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Related Compounds

ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate
CID 15170239
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
ethyl 7-ethyl-4-oxochromene-2-carboxylate
CID 22924455
ethyl 5-bromo-4-nitro-1-benzofuran-2-carboxylate
CID 134125489
ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate
CID 23049270
ethyl 5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzofuran-2-carboxylate
CID 142499891
ethyl 6-[5-(2-ethoxycarbonyl-4-oxochromen-6-yl)oxypentoxy]-4-oxochromene-2-carboxylate
CID 154133959
ethyl 7-hydroxy-4-oxochromene-2-carboxylate;7-hydroxy-2-(hydroxymethyl)chromen-4-one
CID 160975514
ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802
ethyl 4-(hydroxymethyl)benzoate;methane
CID 162096711
ethyl 3,12-dioxopyrano[3,2-a]xanthene-2-carboxylate
CID 102107921
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236

Frequently Asked Questions

What is the IUPAC name of ethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate?
The IUPAC name of ethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate (CID 15170240) is ethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate?
The canonical SMILES for ethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate is CCOC(=O)c1cc2c(ccc3oc4ccc(CO)cc4c32)o1.
What is the InChIKey of ethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate?
The InChIKey is NHEAIQLBQWUVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-2-21-18(20)16-8-12-14(23-16)5-6-15-17(12)11-7-10(9-19)3-4-13(11)22-15/h3-8,19H,2,9H2,1H3.
What are the key properties of ethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate?
ethyl 9-(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 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate is sourced from PubChem (CID 15170240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).