(2R,3S)-2-phenyl-3-phenylselanyloxane

C17H18OSe — CID 101160318

IUPAC(2R,3S)-2-phenyl-3-phenylselanyloxane
SMILESc1ccc([Se][C@H]2CCCO[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C17H18OSe/c1-3-8-14(9-4-1)17-16(12-7-13-18-17)19-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2/t16-,17+/m0/s1
InChIKeyUJTRPINGKMDUDD-DLBZAZTESA-N
MW317.29 g/mol
LogP3.36
Rot. Bonds3

About (2R,3S)-2-phenyl-3-phenylselanyloxane

(2R,3S)-2-phenyl-3-phenylselanyloxane (PubChem CID 101160318) has the molecular formula C17H18OSe and a molecular weight of 317.29 g/mol. Its IUPAC name is (2R,3S)-2-phenyl-3-phenylselanyloxane.

Molecular Properties

Compound Name(2R,3S)-2-phenyl-3-phenylselanyloxane
PubChem CID101160318
Molecular FormulaC17H18OSe
Molecular Weight317.29 g/mol
Exact Mass318.05
IUPAC Name(2R,3S)-2-phenyl-3-phenylselanyloxane
SMILESc1ccc([Se][C@H]2CCCO[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C17H18OSe/c1-3-8-14(9-4-1)17-16(12-7-13-18-17)19-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2/t16-,17+/m0/s1
InChIKeyUJTRPINGKMDUDD-DLBZAZTESA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 53.36
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 (2R,3S)-2-phenyl-3-phenylselanyloxane?
The IUPAC name of (2R,3S)-2-phenyl-3-phenylselanyloxane (CID 101160318) is (2R,3S)-2-phenyl-3-phenylselanyloxane.
What is the SMILES notation for (2R,3S)-2-phenyl-3-phenylselanyloxane?
The canonical SMILES for (2R,3S)-2-phenyl-3-phenylselanyloxane is c1ccc([Se][C@H]2CCCO[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,3S)-2-phenyl-3-phenylselanyloxane?
The InChIKey is UJTRPINGKMDUDD-DLBZAZTESA-N. The full InChI is InChI=1S/C17H18OSe/c1-3-8-14(9-4-1)17-16(12-7-13-18-17)19-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2/t16-,17+/m0/s1.
What are the key properties of (2R,3S)-2-phenyl-3-phenylselanyloxane?
(2R,3S)-2-phenyl-3-phenylselanyloxane has a molecular weight of 317.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-phenyl-3-phenylselanyloxane is sourced from PubChem (CID 101160318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).