6b-methyl-1aH-oxireno[2,3-b][1]benzofuran

C9H8O2 — CID 54113383

IUPAC6b-methyl-1aH-oxireno[2,3-b][1]benzofuran
SMILESCC12OC1Oc1ccccc12
InChIInChI=1S/C9H8O2/c1-9-6-4-2-3-5-7(6)10-8(9)11-9/h2-5,8H,1H3
InChIKeyNIQPVOLBZPSYTK-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.65
Rot. Bonds

About 6b-methyl-1aH-oxireno[2,3-b][1]benzofuran

6b-methyl-1aH-oxireno[2,3-b][1]benzofuran (PubChem CID 54113383) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 6b-methyl-1aH-oxireno[2,3-b][1]benzofuran.

Molecular Properties

Compound Name6b-methyl-1aH-oxireno[2,3-b][1]benzofuran
PubChem CID54113383
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name6b-methyl-1aH-oxireno[2,3-b][1]benzofuran
SMILESCC12OC1Oc1ccccc12
InChIInChI=1S/C9H8O2/c1-9-6-4-2-3-5-7(6)10-8(9)11-9/h2-5,8H,1H3
InChIKeyNIQPVOLBZPSYTK-UHFFFAOYSA-N
XLogP1.65
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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(2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol
CID 15741866
2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine
CID 70472965
7b-methyl-1,2a-dihydrocyclobuta[b][1]benzofuran-2-one
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4,4-dimethyl-2-phenyl-2,3-dihydrochromene
CID 54282692
(1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
CID 11118112
(3,3-dimethyl-2H-1-benzofuran-2-yl) acetate
CID 57171732
(2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol
CID 135058548
ethane;2,2,3,3-tetramethyl-1-benzofuran
CID 144945453
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CID 10633001

Frequently Asked Questions

What is the IUPAC name of 6b-methyl-1aH-oxireno[2,3-b][1]benzofuran?
The IUPAC name of 6b-methyl-1aH-oxireno[2,3-b][1]benzofuran (CID 54113383) is 6b-methyl-1aH-oxireno[2,3-b][1]benzofuran.
What is the SMILES notation for 6b-methyl-1aH-oxireno[2,3-b][1]benzofuran?
The canonical SMILES for 6b-methyl-1aH-oxireno[2,3-b][1]benzofuran is CC12OC1Oc1ccccc12.
What is the InChIKey of 6b-methyl-1aH-oxireno[2,3-b][1]benzofuran?
The InChIKey is NIQPVOLBZPSYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c1-9-6-4-2-3-5-7(6)10-8(9)11-9/h2-5,8H,1H3.
What are the key properties of 6b-methyl-1aH-oxireno[2,3-b][1]benzofuran?
6b-methyl-1aH-oxireno[2,3-b][1]benzofuran has a molecular weight of 148.16 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6b-methyl-1aH-oxireno[2,3-b][1]benzofuran is sourced from PubChem (CID 54113383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).