10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol

C16H9NO4 — CID 58586366

IUPAC10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol
SMILES[C-]#[N+]c1cc(O)cc2c3c(oc12)-c1ccc(O)cc1OC3
InChIInChI=1S/C16H9NO4/c1-17-13-5-9(19)4-11-12-7-20-14-6-8(18)2-3-10(14)15(12)21-16(11)13/h2-6,18-19H,7H2
InChIKeyDCEODPVWDNIWQS-UHFFFAOYSA-N
MW279.25 g/mol
LogP3.95
Rot. Bonds

About 10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol

10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol (PubChem CID 58586366) has the molecular formula C16H9NO4 and a molecular weight of 279.25 g/mol. Its IUPAC name is 10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol.

Molecular Properties

Compound Name10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol
PubChem CID58586366
Molecular FormulaC16H9NO4
Molecular Weight279.25 g/mol
Exact Mass279.05
IUPAC Name10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol
SMILES[C-]#[N+]c1cc(O)cc2c3c(oc12)-c1ccc(O)cc1OC3
InChIInChI=1S/C16H9NO4/c1-17-13-5-9(19)4-11-12-7-20-14-6-8(18)2-3-10(14)15(12)21-16(11)13/h2-6,18-19H,7H2
InChIKeyDCEODPVWDNIWQS-UHFFFAOYSA-N
XLogP3.95
TPSA67.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol 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 10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol?
The IUPAC name of 10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol (CID 58586366) is 10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol.
What is the SMILES notation for 10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol?
The canonical SMILES for 10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol is [C-]#[N+]c1cc(O)cc2c3c(oc12)-c1ccc(O)cc1OC3.
What is the InChIKey of 10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol?
The InChIKey is DCEODPVWDNIWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO4/c1-17-13-5-9(19)4-11-12-7-20-14-6-8(18)2-3-10(14)15(12)21-16(11)13/h2-6,18-19H,7H2.
What are the key properties of 10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol?
10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol has a molecular weight of 279.25 g/mol, XLogP of 3.95, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-isocyano-6H-[1]benzofuro[3,2-c]chromene-3,8-diol is sourced from PubChem (CID 58586366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).