2,7b-dihydro-1aH-oxireno[2,3-c]chromene

C9H8O2 — CID 13149033

IUPAC2,7b-dihydro-1aH-oxireno[2,3-c]chromene
SMILESc1ccc2c(c1)OCC1OC21
InChIInChI=1S/C9H8O2/c1-2-4-7-6(3-1)9-8(11-9)5-10-7/h1-4,8-9H,5H2
InChIKeyJREUHESMHXFWEP-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.52
Rot. Bonds

About 2,7b-dihydro-1aH-oxireno[2,3-c]chromene

2,7b-dihydro-1aH-oxireno[2,3-c]chromene (PubChem CID 13149033) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2,7b-dihydro-1aH-oxireno[2,3-c]chromene.

Molecular Properties

Compound Name2,7b-dihydro-1aH-oxireno[2,3-c]chromene
PubChem CID13149033
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name2,7b-dihydro-1aH-oxireno[2,3-c]chromene
SMILESc1ccc2c(c1)OCC1OC21
InChIInChI=1S/C9H8O2/c1-2-4-7-6(3-1)9-8(11-9)5-10-7/h1-4,8-9H,5H2
InChIKeyJREUHESMHXFWEP-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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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Frequently Asked Questions

What is the IUPAC name of 2,7b-dihydro-1aH-oxireno[2,3-c]chromene?
The IUPAC name of 2,7b-dihydro-1aH-oxireno[2,3-c]chromene (CID 13149033) is 2,7b-dihydro-1aH-oxireno[2,3-c]chromene.
What is the SMILES notation for 2,7b-dihydro-1aH-oxireno[2,3-c]chromene?
The canonical SMILES for 2,7b-dihydro-1aH-oxireno[2,3-c]chromene is c1ccc2c(c1)OCC1OC21.
What is the InChIKey of 2,7b-dihydro-1aH-oxireno[2,3-c]chromene?
The InChIKey is JREUHESMHXFWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c1-2-4-7-6(3-1)9-8(11-9)5-10-7/h1-4,8-9H,5H2.
What are the key properties of 2,7b-dihydro-1aH-oxireno[2,3-c]chromene?
2,7b-dihydro-1aH-oxireno[2,3-c]chromene has a molecular weight of 148.16 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7b-dihydro-1aH-oxireno[2,3-c]chromene is sourced from PubChem (CID 13149033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).