(2S,3R)-3,5,5-trimethyl-2-phenyl-1,4,2λ5-oxazaphosphinane 2-oxide

C12H18NO2P — CID 46188704

IUPAC(2S,3R)-3,5,5-trimethyl-2-phenyl-1,4,2λ5-oxazaphosphinane 2-oxide
SMILESC[C@@H]1NC(C)(C)CO[P@@]1(=O)c1ccccc1
InChIInChI=1S/C12H18NO2P/c1-10-13-12(2,3)9-15-16(10,14)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3/t10-,16-/m1/s1
InChIKeyUGZHBFICLDMCDX-QLJPJBMISA-N
MW239.25 g/mol
LogP2.33
Rot. Bonds1

About (2S,3R)-3,5,5-trimethyl-2-phenyl-1,4,2λ5-oxazaphosphinane 2-oxide

(2S,3R)-3,5,5-trimethyl-2-phenyl-1,4,2λ5-oxazaphosphinane 2-oxide (PubChem CID 46188704) has the molecular formula C12H18NO2P and a molecular weight of 239.25 g/mol. Its IUPAC name is (2S,3R)-3,5,5-trimethyl-2-phenyl-1,4,2λ5-oxazaphosphinane 2-oxide.

Molecular Properties

Compound Name(2S,3R)-3,5,5-trimethyl-2-phenyl-1,4,2λ5-oxazaphosphinane 2-oxide
PubChem CID46188704
Molecular FormulaC12H18NO2P
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name(2S,3R)-3,5,5-trimethyl-2-phenyl-1,4,2λ5-oxazaphosphinane 2-oxide
SMILESC[C@@H]1NC(C)(C)CO[P@@]1(=O)c1ccccc1
InChIInChI=1S/C12H18NO2P/c1-10-13-12(2,3)9-15-16(10,14)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3/t10-,16-/m1/s1
InChIKeyUGZHBFICLDMCDX-QLJPJBMISA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3,5,5-trimethyl-2-phenyl-1,4,2λ5-oxazaphosphinane 2-oxide?
The IUPAC name of (2S,3R)-3,5,5-trimethyl-2-phenyl-1,4,2λ5-oxazaphosphinane 2-oxide (CID 46188704) is (2S,3R)-3,5,5-trimethyl-2-phenyl-1,4,2λ5-oxazaphosphinane 2-oxide.
What is the SMILES notation for (2S,3R)-3,5,5-trimethyl-2-phenyl-1,4,2λ5-oxazaphosphinane 2-oxide?
The canonical SMILES for (2S,3R)-3,5,5-trimethyl-2-phenyl-1,4,2λ5-oxazaphosphinane 2-oxide is C[C@@H]1NC(C)(C)CO[P@@]1(=O)c1ccccc1.
What is the InChIKey of (2S,3R)-3,5,5-trimethyl-2-phenyl-1,4,2λ5-oxazaphosphinane 2-oxide?
The InChIKey is UGZHBFICLDMCDX-QLJPJBMISA-N. The full InChI is InChI=1S/C12H18NO2P/c1-10-13-12(2,3)9-15-16(10,14)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3/t10-,16-/m1/s1.
What are the key properties of (2S,3R)-3,5,5-trimethyl-2-phenyl-1,4,2λ5-oxazaphosphinane 2-oxide?
(2S,3R)-3,5,5-trimethyl-2-phenyl-1,4,2λ5-oxazaphosphinane 2-oxide has a molecular weight of 239.25 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3,5,5-trimethyl-2-phenyl-1,4,2λ5-oxazaphosphinane 2-oxide is sourced from PubChem (CID 46188704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).