2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide

C19H23OP — CID 71385233

IUPAC2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide
SMILESCC1(C)CC(C)(C)P(=O)(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H23OP/c1-18(2)14-19(3,4)21(20,15-10-6-5-7-11-15)17-13-9-8-12-16(17)18/h5-13H,14H2,1-4H3
InChIKeyXAYMJUHOSXENTI-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.46
Rot. Bonds1

About 2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide

2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide (PubChem CID 71385233) has the molecular formula C19H23OP and a molecular weight of 298.37 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide
PubChem CID71385233
Molecular FormulaC19H23OP
Molecular Weight298.37 g/mol
Exact Mass298.15
IUPAC Name2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide
SMILESCC1(C)CC(C)(C)P(=O)(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H23OP/c1-18(2)14-19(3,4)21(20,15-10-6-5-7-11-15)17-13-9-8-12-16(17)18/h5-13H,14H2,1-4H3
InChIKeyXAYMJUHOSXENTI-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

((1S,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl)diphenylphosphine oxide
CID 21678144
1,1'-(1,1-Dimethyl-3-methylene-1,3-propanediyl)bisbenzene
CID 80715
Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-
CID 74681
1,1,1-Triphenylethane
CID 78926
Tris(4-methylphenyl)phosphine oxide
CID 120383
Benzene, 1,1',1''-(1,3,5,5-tetramethyl-1-pentene-1,3,5-triyl)tris-
CID 86847
4,6-Dimethyl-2,4,6-triphenyl-1-heptene
CID 112502
Benzene, 1,1'-(1,3,3-trimethyl-1-propene-1,3-diyl)bis-
CID 5376315
1,1,1-Triphenylpropane
CID 317539
Methyl[bis(4-methylphenyl)]phosphine oxide
CID 685678
Mls003115741
CID 326943
2,5-Dimethyl-2,5-diphenylhexane
CID 316705

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide?
The IUPAC name of 2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide (CID 71385233) is 2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide.
What is the SMILES notation for 2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide?
The canonical SMILES for 2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide is CC1(C)CC(C)(C)P(=O)(c2ccccc2)c2ccccc21.
What is the InChIKey of 2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide?
The InChIKey is XAYMJUHOSXENTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23OP/c1-18(2)14-19(3,4)21(20,15-10-6-5-7-11-15)17-13-9-8-12-16(17)18/h5-13H,14H2,1-4H3.
What are the key properties of 2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide?
2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide has a molecular weight of 298.37 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide is sourced from PubChem (CID 71385233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).