benzylselanyl-dihydroxy-selanylidene-λ5-phosphane

C7H9O2PSe2 — CID 173221458

IUPACbenzylselanyl-dihydroxy-selanylidene-λ5-phosphane
SMILESOP(O)(=[Se])[Se]Cc1ccccc1
InChIInChI=1S/C7H9O2PSe2/c8-10(9,11)12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,11)
InChIKeyGBURWHPOQJKZDD-UHFFFAOYSA-N
MW314.04 g/mol
LogP0.72
Rot. Bonds3

About benzylselanyl-dihydroxy-selanylidene-λ5-phosphane

benzylselanyl-dihydroxy-selanylidene-λ5-phosphane (PubChem CID 173221458) has the molecular formula C7H9O2PSe2 and a molecular weight of 314.04 g/mol. Its IUPAC name is benzylselanyl-dihydroxy-selanylidene-λ5-phosphane.

Molecular Properties

Compound Namebenzylselanyl-dihydroxy-selanylidene-λ5-phosphane
PubChem CID173221458
Molecular FormulaC7H9O2PSe2
Molecular Weight314.04 g/mol
Exact Mass315.87
IUPAC Namebenzylselanyl-dihydroxy-selanylidene-λ5-phosphane
SMILESOP(O)(=[Se])[Se]Cc1ccccc1
InChIInChI=1S/C7H9O2PSe2/c8-10(9,11)12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,11)
InChIKeyGBURWHPOQJKZDD-UHFFFAOYSA-N
XLogP0.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.04
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzylselanyl-diphenyl-selanylidene-λ5-phosphane
CID 102523917
dimethoxyphosphorylselanylmethylbenzene
CID 86578734
benzyl selenohypobromite
CID 3301548
bis(benzylselanyl)methanethione
CID 13468467
2-benzylselanylethanol
CID 3800027
1,2,3,4,5,6-hexakis(benzylselanylmethyl)benzene
CID 4054244
benzylbenzene;phosphoric acid
CID 161249494
potassium 2-benzylselanylacetate
CID 23697851
2-phenylethylbenzene;phosphono dihydrogen phosphate
CID 174463104
[benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate
CID 87475279
CID 6331790
CID 6331790
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417

Frequently Asked Questions

What is the IUPAC name of benzylselanyl-dihydroxy-selanylidene-λ5-phosphane?
The IUPAC name of benzylselanyl-dihydroxy-selanylidene-λ5-phosphane (CID 173221458) is benzylselanyl-dihydroxy-selanylidene-λ5-phosphane.
What is the SMILES notation for benzylselanyl-dihydroxy-selanylidene-λ5-phosphane?
The canonical SMILES for benzylselanyl-dihydroxy-selanylidene-λ5-phosphane is OP(O)(=[Se])[Se]Cc1ccccc1.
What is the InChIKey of benzylselanyl-dihydroxy-selanylidene-λ5-phosphane?
The InChIKey is GBURWHPOQJKZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O2PSe2/c8-10(9,11)12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,11).
What are the key properties of benzylselanyl-dihydroxy-selanylidene-λ5-phosphane?
benzylselanyl-dihydroxy-selanylidene-λ5-phosphane has a molecular weight of 314.04 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylselanyl-dihydroxy-selanylidene-λ5-phosphane is sourced from PubChem (CID 173221458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).