7-methoxy-1-benzofuran

C9H8O2 — CID 590462

IUPAC7-methoxy-1-benzofuran
SMILESCOc1cccc2ccoc12
InChIInChI=1S/C9H8O2/c1-10-8-4-2-3-7-5-6-11-9(7)8/h2-6H,1H3
InChIKeyQPLLPLLBBSWRTM-UHFFFAOYSA-N
MW148.16 g/mol
LogP2.44
Rot. Bonds1

About 7-methoxy-1-benzofuran

7-methoxy-1-benzofuran (PubChem CID 590462) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 7-methoxy-1-benzofuran.

Molecular Properties

Compound Name7-methoxy-1-benzofuran
PubChem CID590462
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name7-methoxy-1-benzofuran
SMILESCOc1cccc2ccoc12
InChIInChI=1S/C9H8O2/c1-10-8-4-2-3-7-5-6-11-9(7)8/h2-6H,1H3
InChIKeyQPLLPLLBBSWRTM-UHFFFAOYSA-N
XLogP2.44
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-benzofuran?
The IUPAC name of 7-methoxy-1-benzofuran (CID 590462) is 7-methoxy-1-benzofuran.
What is the SMILES notation for 7-methoxy-1-benzofuran?
The canonical SMILES for 7-methoxy-1-benzofuran is COc1cccc2ccoc12.
What is the InChIKey of 7-methoxy-1-benzofuran?
The InChIKey is QPLLPLLBBSWRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c1-10-8-4-2-3-7-5-6-11-9(7)8/h2-6H,1H3.
What are the key properties of 7-methoxy-1-benzofuran?
7-methoxy-1-benzofuran has a molecular weight of 148.16 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-benzofuran is sourced from PubChem (CID 590462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).