1-benzofuran;1H-indazole

C15H12N2O — CID 121363040

IUPAC1-benzofuran;1H-indazole
SMILESc1ccc2[nH]ncc2c1.c1ccc2occc2c1
InChIInChI=1S/C8H6O.C7H6N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)5-8-9-7/h1-6H;1-5H,(H,8,9)
InChIKeyWESYVEMPYOUVOP-UHFFFAOYSA-N
MW236.27 g/mol
LogP4.00
Rot. Bonds

About 1-benzofuran;1H-indazole

1-benzofuran;1H-indazole (PubChem CID 121363040) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-benzofuran;1H-indazole.

Molecular Properties

Compound Name1-benzofuran;1H-indazole
PubChem CID121363040
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-benzofuran;1H-indazole
SMILESc1ccc2[nH]ncc2c1.c1ccc2occc2c1
InChIInChI=1S/C8H6O.C7H6N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)5-8-9-7/h1-6H;1-5H,(H,8,9)
InChIKeyWESYVEMPYOUVOP-UHFFFAOYSA-N
XLogP4.00
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1H-indazole?
The IUPAC name of 1-benzofuran;1H-indazole (CID 121363040) is 1-benzofuran;1H-indazole.
What is the SMILES notation for 1-benzofuran;1H-indazole?
The canonical SMILES for 1-benzofuran;1H-indazole is c1ccc2[nH]ncc2c1.c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran;1H-indazole?
The InChIKey is WESYVEMPYOUVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.C7H6N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)5-8-9-7/h1-6H;1-5H,(H,8,9).
What are the key properties of 1-benzofuran;1H-indazole?
1-benzofuran;1H-indazole has a molecular weight of 236.27 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1H-indazole is sourced from PubChem (CID 121363040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).