(4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine

C22H30NO2P — CID 177461503

IUPAC(4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine
SMILESCC(C)c1cccc(C(C)C)c1OP1O[C@@H](c2ccccc2)[C@H](C)N1C
InChIInChI=1S/C22H30NO2P/c1-15(2)19-13-10-14-20(16(3)4)22(19)25-26-23(6)17(5)21(24-26)18-11-8-7-9-12-18/h7-17,21H,1-6H3/t17-,21+,26?/m0/s1
InChIKeyPAVGQOAUKVSPHK-CLYKLVJSSA-N
MW371.46 g/mol
LogP6.63
Rot. Bonds5

About (4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine

(4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine (PubChem CID 177461503) has the molecular formula C22H30NO2P and a molecular weight of 371.46 g/mol. Its IUPAC name is (4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name(4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine
PubChem CID177461503
Molecular FormulaC22H30NO2P
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name(4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine
SMILESCC(C)c1cccc(C(C)C)c1OP1O[C@@H](c2ccccc2)[C@H](C)N1C
InChIInChI=1S/C22H30NO2P/c1-15(2)19-13-10-14-20(16(3)4)22(19)25-26-23(6)17(5)21(24-26)18-11-8-7-9-12-18/h7-17,21H,1-6H3/t17-,21+,26?/m0/s1
InChIKeyPAVGQOAUKVSPHK-CLYKLVJSSA-N
XLogP6.63
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-2-(4-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine
CID 177467359
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946
4-methyl-5-phenyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 73120912
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
CID 59439597
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
2-cyclopenta-2,4-dien-1-yloxy-1,3-di(propan-2-yl)benzene
CID 175449132
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
bis[2,6-di(propan-2-yl)phenoxy]-methylalumane
CID 16715532
11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine
CID 19706021
(5S,6R)-3-[(2S,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one
CID 11384570
3-[2,6-di(propan-2-yl)phenoxy]-N-methylcyclobutan-1-amine
CID 66351327

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine?
The IUPAC name of (4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine (CID 177461503) is (4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine.
What is the SMILES notation for (4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine?
The canonical SMILES for (4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine is CC(C)c1cccc(C(C)C)c1OP1O[C@@H](c2ccccc2)[C@H](C)N1C.
What is the InChIKey of (4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine?
The InChIKey is PAVGQOAUKVSPHK-CLYKLVJSSA-N. The full InChI is InChI=1S/C22H30NO2P/c1-15(2)19-13-10-14-20(16(3)4)22(19)25-26-23(6)17(5)21(24-26)18-11-8-7-9-12-18/h7-17,21H,1-6H3/t17-,21+,26?/m0/s1.
What are the key properties of (4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine?
(4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine has a molecular weight of 371.46 g/mol, XLogP of 6.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-[2,6-di(propan-2-yl)phenoxy]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine is sourced from PubChem (CID 177461503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).