(2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane

C21H26OSe — CID 15349176

IUPAC(2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane
SMILESCC(C)[C@@H]1[C@H](C[Se]c2ccccc2)OCC[C@H]1c1ccccc1
InChIInChI=1S/C21H26OSe/c1-16(2)21-19(17-9-5-3-6-10-17)13-14-22-20(21)15-23-18-11-7-4-8-12-18/h3-12,16,19-21H,13-15H2,1-2H3/t19-,20-,21-/m0/s1
InChIKeyPBAPJLLCVROKNG-ACRUOGEOSA-N
MW373.40 g/mol
LogP4.28
Rot. Bonds5

About (2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane

(2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane (PubChem CID 15349176) has the molecular formula C21H26OSe and a molecular weight of 373.40 g/mol. Its IUPAC name is (2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane.

Molecular Properties

Compound Name(2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane
PubChem CID15349176
Molecular FormulaC21H26OSe
Molecular Weight373.40 g/mol
Exact Mass374.11
IUPAC Name(2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane
SMILESCC(C)[C@@H]1[C@H](C[Se]c2ccccc2)OCC[C@H]1c1ccccc1
InChIInChI=1S/C21H26OSe/c1-16(2)21-19(17-9-5-3-6-10-17)13-14-22-20(21)15-23-18-11-7-4-8-12-18/h3-12,16,19-21H,13-15H2,1-2H3/t19-,20-,21-/m0/s1
InChIKeyPBAPJLLCVROKNG-ACRUOGEOSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.28
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,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane?
The IUPAC name of (2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane (CID 15349176) is (2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane.
What is the SMILES notation for (2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane?
The canonical SMILES for (2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane is CC(C)[C@@H]1[C@H](C[Se]c2ccccc2)OCC[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane?
The InChIKey is PBAPJLLCVROKNG-ACRUOGEOSA-N. The full InChI is InChI=1S/C21H26OSe/c1-16(2)21-19(17-9-5-3-6-10-17)13-14-22-20(21)15-23-18-11-7-4-8-12-18/h3-12,16,19-21H,13-15H2,1-2H3/t19-,20-,21-/m0/s1.
What are the key properties of (2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane?
(2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane has a molecular weight of 373.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane is sourced from PubChem (CID 15349176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).