5-chloro-7-methoxy-1-benzofuran

C9H7ClO2 — CID 123860132

IUPAC5-chloro-7-methoxy-1-benzofuran
SMILESCOc1cc(Cl)cc2ccoc12
InChIInChI=1S/C9H7ClO2/c1-11-8-5-7(10)4-6-2-3-12-9(6)8/h2-5H,1H3
InChIKeyQCCJJIKMARXOQG-UHFFFAOYSA-N
MW182.61 g/mol
LogP3.09
Rot. Bonds1

About 5-chloro-7-methoxy-1-benzofuran

5-chloro-7-methoxy-1-benzofuran (PubChem CID 123860132) has the molecular formula C9H7ClO2 and a molecular weight of 182.61 g/mol. Its IUPAC name is 5-chloro-7-methoxy-1-benzofuran.

Molecular Properties

Compound Name5-chloro-7-methoxy-1-benzofuran
PubChem CID123860132
Molecular FormulaC9H7ClO2
Molecular Weight182.61 g/mol
Exact Mass182.01
IUPAC Name5-chloro-7-methoxy-1-benzofuran
SMILESCOc1cc(Cl)cc2ccoc12
InChIInChI=1S/C9H7ClO2/c1-11-8-5-7(10)4-6-2-3-12-9(6)8/h2-5H,1H3
InChIKeyQCCJJIKMARXOQG-UHFFFAOYSA-N
XLogP3.09
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-1-benzofuran?
The IUPAC name of 5-chloro-7-methoxy-1-benzofuran (CID 123860132) is 5-chloro-7-methoxy-1-benzofuran.
What is the SMILES notation for 5-chloro-7-methoxy-1-benzofuran?
The canonical SMILES for 5-chloro-7-methoxy-1-benzofuran is COc1cc(Cl)cc2ccoc12.
What is the InChIKey of 5-chloro-7-methoxy-1-benzofuran?
The InChIKey is QCCJJIKMARXOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2/c1-11-8-5-7(10)4-6-2-3-12-9(6)8/h2-5H,1H3.
What are the key properties of 5-chloro-7-methoxy-1-benzofuran?
5-chloro-7-methoxy-1-benzofuran has a molecular weight of 182.61 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-1-benzofuran is sourced from PubChem (CID 123860132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).