1-benzofuran;hydrochloride

C8H7ClO — CID 19781165

IUPAC1-benzofuran;hydrochloride
SMILESCl.c1ccc2occc2c1
InChIInChI=1S/C8H6O.ClH/c1-2-4-8-7(3-1)5-6-9-8;/h1-6H;1H
InChIKeyQAPAAMJNJUBIMZ-UHFFFAOYSA-N
MW154.60 g/mol
LogP2.85
Rot. Bonds

About 1-benzofuran;hydrochloride

1-benzofuran;hydrochloride (PubChem CID 19781165) has the molecular formula C8H7ClO and a molecular weight of 154.60 g/mol. Its IUPAC name is 1-benzofuran;hydrochloride.

Molecular Properties

Compound Name1-benzofuran;hydrochloride
PubChem CID19781165
Molecular FormulaC8H7ClO
Molecular Weight154.60 g/mol
Exact Mass154.02
IUPAC Name1-benzofuran;hydrochloride
SMILESCl.c1ccc2occc2c1
InChIInChI=1S/C8H6O.ClH/c1-2-4-8-7(3-1)5-6-9-8;/h1-6H;1H
InChIKeyQAPAAMJNJUBIMZ-UHFFFAOYSA-N
XLogP2.85
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;hydrochloride?
The IUPAC name of 1-benzofuran;hydrochloride (CID 19781165) is 1-benzofuran;hydrochloride.
What is the SMILES notation for 1-benzofuran;hydrochloride?
The canonical SMILES for 1-benzofuran;hydrochloride is Cl.c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran;hydrochloride?
The InChIKey is QAPAAMJNJUBIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.ClH/c1-2-4-8-7(3-1)5-6-9-8;/h1-6H;1H.
What are the key properties of 1-benzofuran;hydrochloride?
1-benzofuran;hydrochloride has a molecular weight of 154.60 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;hydrochloride is sourced from PubChem (CID 19781165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).