6-(chloromethyl)-3-methyl-1-benzofuran

C10H9ClO — CID 170914014

IUPAC6-(chloromethyl)-3-methyl-1-benzofuran
SMILESCc1coc2cc(CCl)ccc12
InChIInChI=1S/C10H9ClO/c1-7-6-12-10-4-8(5-11)2-3-9(7)10/h2-4,6H,5H2,1H3
InChIKeyXNPNYRZRTVBWLX-UHFFFAOYSA-N
MW180.63 g/mol
LogP3.48
Rot. Bonds1

About 6-(chloromethyl)-3-methyl-1-benzofuran

6-(chloromethyl)-3-methyl-1-benzofuran (PubChem CID 170914014) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is 6-(chloromethyl)-3-methyl-1-benzofuran.

Molecular Properties

Compound Name6-(chloromethyl)-3-methyl-1-benzofuran
PubChem CID170914014
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name6-(chloromethyl)-3-methyl-1-benzofuran
SMILESCc1coc2cc(CCl)ccc12
InChIInChI=1S/C10H9ClO/c1-7-6-12-10-4-8(5-11)2-3-9(7)10/h2-4,6H,5H2,1H3
InChIKeyXNPNYRZRTVBWLX-UHFFFAOYSA-N
XLogP3.48
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 53.48
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 6-(chloromethyl)-3-methyl-1-benzofuran?
The IUPAC name of 6-(chloromethyl)-3-methyl-1-benzofuran (CID 170914014) is 6-(chloromethyl)-3-methyl-1-benzofuran.
What is the SMILES notation for 6-(chloromethyl)-3-methyl-1-benzofuran?
The canonical SMILES for 6-(chloromethyl)-3-methyl-1-benzofuran is Cc1coc2cc(CCl)ccc12.
What is the InChIKey of 6-(chloromethyl)-3-methyl-1-benzofuran?
The InChIKey is XNPNYRZRTVBWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO/c1-7-6-12-10-4-8(5-11)2-3-9(7)10/h2-4,6H,5H2,1H3.
What are the key properties of 6-(chloromethyl)-3-methyl-1-benzofuran?
6-(chloromethyl)-3-methyl-1-benzofuran has a molecular weight of 180.63 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-methyl-1-benzofuran is sourced from PubChem (CID 170914014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).