2H-selenopheno[3,2-g]chromene

C11H8OSe — CID 152758653

IUPAC2H-selenopheno[3,2-g]chromene
SMILESC1=Cc2cc3cc[se]c3cc2OC1
InChIInChI=1S/C11H8OSe/c1-2-8-6-9-3-5-13-11(9)7-10(8)12-4-1/h1-3,5-7H,4H2
InChIKeyCSNCIRLINFXNNZ-UHFFFAOYSA-N
MW235.14 g/mol
LogP2.30
Rot. Bonds

About 2H-selenopheno[3,2-g]chromene

2H-selenopheno[3,2-g]chromene (PubChem CID 152758653) has the molecular formula C11H8OSe and a molecular weight of 235.14 g/mol. Its IUPAC name is 2H-selenopheno[3,2-g]chromene.

Molecular Properties

Compound Name2H-selenopheno[3,2-g]chromene
PubChem CID152758653
Molecular FormulaC11H8OSe
Molecular Weight235.14 g/mol
Exact Mass235.97
IUPAC Name2H-selenopheno[3,2-g]chromene
SMILESC1=Cc2cc3cc[se]c3cc2OC1
InChIInChI=1S/C11H8OSe/c1-2-8-6-9-3-5-13-11(9)7-10(8)12-4-1/h1-3,5-7H,4H2
InChIKeyCSNCIRLINFXNNZ-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2H-selenopheno[3,2-g]chromene?
The IUPAC name of 2H-selenopheno[3,2-g]chromene (CID 152758653) is 2H-selenopheno[3,2-g]chromene.
What is the SMILES notation for 2H-selenopheno[3,2-g]chromene?
The canonical SMILES for 2H-selenopheno[3,2-g]chromene is C1=Cc2cc3cc[se]c3cc2OC1.
What is the InChIKey of 2H-selenopheno[3,2-g]chromene?
The InChIKey is CSNCIRLINFXNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8OSe/c1-2-8-6-9-3-5-13-11(9)7-10(8)12-4-1/h1-3,5-7H,4H2.
What are the key properties of 2H-selenopheno[3,2-g]chromene?
2H-selenopheno[3,2-g]chromene has a molecular weight of 235.14 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-selenopheno[3,2-g]chromene is sourced from PubChem (CID 152758653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).