6-benzyl-[1]benzofuro[2,3-b]indole

C21H15NO — CID 102518263

IUPAC6-benzyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(Cn2c3ccccc3c3c4ccccc4oc32)cc1
InChIInChI=1S/C21H15NO/c1-2-8-15(9-3-1)14-22-18-12-6-4-10-16(18)20-17-11-5-7-13-19(17)23-21(20)22/h1-13H,14H2
InChIKeyHXBCRWGOLBYZJN-UHFFFAOYSA-N
MW297.36 g/mol
LogP5.59
Rot. Bonds2

About 6-benzyl-[1]benzofuro[2,3-b]indole

6-benzyl-[1]benzofuro[2,3-b]indole (PubChem CID 102518263) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-benzyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name6-benzyl-[1]benzofuro[2,3-b]indole
PubChem CID102518263
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name6-benzyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(Cn2c3ccccc3c3c4ccccc4oc32)cc1
InChIInChI=1S/C21H15NO/c1-2-8-15(9-3-1)14-22-18-12-6-4-10-16(18)20-17-11-5-7-13-19(17)23-21(20)22/h1-13H,14H2
InChIKeyHXBCRWGOLBYZJN-UHFFFAOYSA-N
XLogP5.59
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 6-benzyl-[1]benzofuro[2,3-b]indole (CID 102518263) is 6-benzyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 6-benzyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 6-benzyl-[1]benzofuro[2,3-b]indole is c1ccc(Cn2c3ccccc3c3c4ccccc4oc32)cc1.
What is the InChIKey of 6-benzyl-[1]benzofuro[2,3-b]indole?
The InChIKey is HXBCRWGOLBYZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO/c1-2-8-15(9-3-1)14-22-18-12-6-4-10-16(18)20-17-11-5-7-13-19(17)23-21(20)22/h1-13H,14H2.
What are the key properties of 6-benzyl-[1]benzofuro[2,3-b]indole?
6-benzyl-[1]benzofuro[2,3-b]indole has a molecular weight of 297.36 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 102518263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).