8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol

C12H7NO4 — CID 117329813

IUPAC8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol
SMILESO=C=NCc1c2ccoc2c(O)c2ccoc12
InChIInChI=1S/C12H7NO4/c14-6-13-5-9-7-1-3-17-12(7)10(15)8-2-4-16-11(8)9/h1-4,15H,5H2
InChIKeySYDMFDUDVKBZCD-UHFFFAOYSA-N
MW229.19 g/mol
LogP2.72
Rot. Bonds2

About 8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol

8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol (PubChem CID 117329813) has the molecular formula C12H7NO4 and a molecular weight of 229.19 g/mol. Its IUPAC name is 8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol.

Molecular Properties

Compound Name8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol
PubChem CID117329813
Molecular FormulaC12H7NO4
Molecular Weight229.19 g/mol
Exact Mass229.04
IUPAC Name8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol
SMILESO=C=NCc1c2ccoc2c(O)c2ccoc12
InChIInChI=1S/C12H7NO4/c14-6-13-5-9-7-1-3-17-12(7)10(15)8-2-4-16-11(8)9/h1-4,15H,5H2
InChIKeySYDMFDUDVKBZCD-UHFFFAOYSA-N
XLogP2.72
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol?
The IUPAC name of 8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol (CID 117329813) is 8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol.
What is the SMILES notation for 8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol?
The canonical SMILES for 8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol is O=C=NCc1c2ccoc2c(O)c2ccoc12.
What is the InChIKey of 8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol?
The InChIKey is SYDMFDUDVKBZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO4/c14-6-13-5-9-7-1-3-17-12(7)10(15)8-2-4-16-11(8)9/h1-4,15H,5H2.
What are the key properties of 8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol?
8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol has a molecular weight of 229.19 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol is sourced from PubChem (CID 117329813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).