3,3-diphenyl-5-(phenylselanylmethyl)oxolan-2-one

C23H20O2Se — CID 12791585

IUPAC3,3-diphenyl-5-(phenylselanylmethyl)oxolan-2-one
SMILESO=C1OC(C[Se]c2ccccc2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2Se/c24-22-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)16-20(25-22)17-26-21-14-8-3-9-15-21/h1-15,20H,16-17H2
InChIKeyFCBXTPVHTXLOHO-UHFFFAOYSA-N
MW407.37 g/mol
LogP3.74
Rot. Bonds5

About 3,3-diphenyl-5-(phenylselanylmethyl)oxolan-2-one

3,3-diphenyl-5-(phenylselanylmethyl)oxolan-2-one (PubChem CID 12791585) has the molecular formula C23H20O2Se and a molecular weight of 407.37 g/mol. Its IUPAC name is 3,3-diphenyl-5-(phenylselanylmethyl)oxolan-2-one.

Molecular Properties

Compound Name3,3-diphenyl-5-(phenylselanylmethyl)oxolan-2-one
PubChem CID12791585
Molecular FormulaC23H20O2Se
Molecular Weight407.37 g/mol
Exact Mass408.06
IUPAC Name3,3-diphenyl-5-(phenylselanylmethyl)oxolan-2-one
SMILESO=C1OC(C[Se]c2ccccc2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2Se/c24-22-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)16-20(25-22)17-26-21-14-8-3-9-15-21/h1-15,20H,16-17H2
InChIKeyFCBXTPVHTXLOHO-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,3-diphenyl-5-(phenylselanylmethyl)oxolan-2-one?
The IUPAC name of 3,3-diphenyl-5-(phenylselanylmethyl)oxolan-2-one (CID 12791585) is 3,3-diphenyl-5-(phenylselanylmethyl)oxolan-2-one.
What is the SMILES notation for 3,3-diphenyl-5-(phenylselanylmethyl)oxolan-2-one?
The canonical SMILES for 3,3-diphenyl-5-(phenylselanylmethyl)oxolan-2-one is O=C1OC(C[Se]c2ccccc2)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-5-(phenylselanylmethyl)oxolan-2-one?
The InChIKey is FCBXTPVHTXLOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2Se/c24-22-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)16-20(25-22)17-26-21-14-8-3-9-15-21/h1-15,20H,16-17H2.
What are the key properties of 3,3-diphenyl-5-(phenylselanylmethyl)oxolan-2-one?
3,3-diphenyl-5-(phenylselanylmethyl)oxolan-2-one has a molecular weight of 407.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-5-(phenylselanylmethyl)oxolan-2-one is sourced from PubChem (CID 12791585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).