methane;5-methoxy-1-benzofuran

C10H12O2 — CID 160759261

IUPACmethane;5-methoxy-1-benzofuran
SMILESC.COc1ccc2occc2c1
InChIInChI=1S/C9H8O2.CH4/c1-10-8-2-3-9-7(6-8)4-5-11-9;/h2-6H,1H3;1H4
InChIKeyRXVNNYPADMXVCX-UHFFFAOYSA-N
MW164.20 g/mol
LogP3.08
Rot. Bonds1

About methane;5-methoxy-1-benzofuran

methane;5-methoxy-1-benzofuran (PubChem CID 160759261) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is methane;5-methoxy-1-benzofuran.

Molecular Properties

Compound Namemethane;5-methoxy-1-benzofuran
PubChem CID160759261
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Namemethane;5-methoxy-1-benzofuran
SMILESC.COc1ccc2occc2c1
InChIInChI=1S/C9H8O2.CH4/c1-10-8-2-3-9-7(6-8)4-5-11-9;/h2-6H,1H3;1H4
InChIKeyRXVNNYPADMXVCX-UHFFFAOYSA-N
XLogP3.08
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;5-methoxy-1-benzofuran?
The IUPAC name of methane;5-methoxy-1-benzofuran (CID 160759261) is methane;5-methoxy-1-benzofuran.
What is the SMILES notation for methane;5-methoxy-1-benzofuran?
The canonical SMILES for methane;5-methoxy-1-benzofuran is C.COc1ccc2occc2c1.
What is the InChIKey of methane;5-methoxy-1-benzofuran?
The InChIKey is RXVNNYPADMXVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.CH4/c1-10-8-2-3-9-7(6-8)4-5-11-9;/h2-6H,1H3;1H4.
What are the key properties of methane;5-methoxy-1-benzofuran?
methane;5-methoxy-1-benzofuran has a molecular weight of 164.20 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methoxy-1-benzofuran is sourced from PubChem (CID 160759261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).