1a-phenyloxireno[2,3-b]chromene

C15H10O2 — CID 20536923

IUPAC1a-phenyloxireno[2,3-b]chromene
SMILESC1=C2OC2(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C15H10O2/c1-2-7-12(8-3-1)15-14(17-15)10-11-6-4-5-9-13(11)16-15/h1-10H
InChIKeyGQDAKAZKQXEZCR-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.30
Rot. Bonds1

About 1a-phenyloxireno[2,3-b]chromene

1a-phenyloxireno[2,3-b]chromene (PubChem CID 20536923) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1a-phenyloxireno[2,3-b]chromene.

Molecular Properties

Compound Name1a-phenyloxireno[2,3-b]chromene
PubChem CID20536923
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Name1a-phenyloxireno[2,3-b]chromene
SMILESC1=C2OC2(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C15H10O2/c1-2-7-12(8-3-1)15-14(17-15)10-11-6-4-5-9-13(11)16-15/h1-10H
InChIKeyGQDAKAZKQXEZCR-UHFFFAOYSA-N
XLogP3.30
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.30
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 1a-phenyloxireno[2,3-b]chromene?
The IUPAC name of 1a-phenyloxireno[2,3-b]chromene (CID 20536923) is 1a-phenyloxireno[2,3-b]chromene.
What is the SMILES notation for 1a-phenyloxireno[2,3-b]chromene?
The canonical SMILES for 1a-phenyloxireno[2,3-b]chromene is C1=C2OC2(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 1a-phenyloxireno[2,3-b]chromene?
The InChIKey is GQDAKAZKQXEZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c1-2-7-12(8-3-1)15-14(17-15)10-11-6-4-5-9-13(11)16-15/h1-10H.
What are the key properties of 1a-phenyloxireno[2,3-b]chromene?
1a-phenyloxireno[2,3-b]chromene has a molecular weight of 222.24 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1a-phenyloxireno[2,3-b]chromene is sourced from PubChem (CID 20536923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).