7-(chloromethyl)-1-benzofuran

C9H7ClO — CID 22413365

IUPAC7-(chloromethyl)-1-benzofuran
SMILESClCc1cccc2ccoc12
InChIInChI=1S/C9H7ClO/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H,6H2
InChIKeyJACYXEXAYBGZIF-UHFFFAOYSA-N
MW166.61 g/mol
LogP3.17
Rot. Bonds1

About 7-(chloromethyl)-1-benzofuran

7-(chloromethyl)-1-benzofuran (PubChem CID 22413365) has the molecular formula C9H7ClO and a molecular weight of 166.61 g/mol. Its IUPAC name is 7-(chloromethyl)-1-benzofuran.

Molecular Properties

Compound Name7-(chloromethyl)-1-benzofuran
PubChem CID22413365
Molecular FormulaC9H7ClO
Molecular Weight166.61 g/mol
Exact Mass166.02
IUPAC Name7-(chloromethyl)-1-benzofuran
SMILESClCc1cccc2ccoc12
InChIInChI=1S/C9H7ClO/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H,6H2
InChIKeyJACYXEXAYBGZIF-UHFFFAOYSA-N
XLogP3.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-1-benzofuran?
The IUPAC name of 7-(chloromethyl)-1-benzofuran (CID 22413365) is 7-(chloromethyl)-1-benzofuran.
What is the SMILES notation for 7-(chloromethyl)-1-benzofuran?
The canonical SMILES for 7-(chloromethyl)-1-benzofuran is ClCc1cccc2ccoc12.
What is the InChIKey of 7-(chloromethyl)-1-benzofuran?
The InChIKey is JACYXEXAYBGZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H,6H2.
What are the key properties of 7-(chloromethyl)-1-benzofuran?
7-(chloromethyl)-1-benzofuran has a molecular weight of 166.61 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-1-benzofuran is sourced from PubChem (CID 22413365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).