4-methoxy-2-benzofuran

C9H8O2 — CID 21318708

IUPAC4-methoxy-2-benzofuran
SMILESCOc1cccc2cocc12
InChIInChI=1S/C9H8O2/c1-10-9-4-2-3-7-5-11-6-8(7)9/h2-6H,1H3
InChIKeyVBIILBXDRMFMDD-UHFFFAOYSA-N
MW148.16 g/mol
LogP2.44
Rot. Bonds1

About 4-methoxy-2-benzofuran

4-methoxy-2-benzofuran (PubChem CID 21318708) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 4-methoxy-2-benzofuran.

Molecular Properties

Compound Name4-methoxy-2-benzofuran
PubChem CID21318708
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name4-methoxy-2-benzofuran
SMILESCOc1cccc2cocc12
InChIInChI=1S/C9H8O2/c1-10-9-4-2-3-7-5-11-6-8(7)9/h2-6H,1H3
InChIKeyVBIILBXDRMFMDD-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 4-methoxy-2-benzofuran?
The IUPAC name of 4-methoxy-2-benzofuran (CID 21318708) is 4-methoxy-2-benzofuran.
What is the SMILES notation for 4-methoxy-2-benzofuran?
The canonical SMILES for 4-methoxy-2-benzofuran is COc1cccc2cocc12.
What is the InChIKey of 4-methoxy-2-benzofuran?
The InChIKey is VBIILBXDRMFMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c1-10-9-4-2-3-7-5-11-6-8(7)9/h2-6H,1H3.
What are the key properties of 4-methoxy-2-benzofuran?
4-methoxy-2-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 4-methoxy-2-benzofuran is sourced from PubChem (CID 21318708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).