(2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane

C29H47O3P — CID 90750737

IUPAC(2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane
SMILESCCC.COP(Oc1ccc(C)cc1C(C)(C)C)Oc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C26H39O3P.C3H8/c1-18-12-14-22(20(16-18)25(5,6)7)28-30(27-11)29-23-15-13-19(24(2,3)4)17-21(23)26(8,9)10;1-3-2/h12-17H,1-11H3;3H2,1-2H3
InChIKeyBHRRGTKCLRTNBU-UHFFFAOYSA-N
MW474.67 g/mol
LogP9.63
Rot. Bonds5

About (2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane

(2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane (PubChem CID 90750737) has the molecular formula C29H47O3P and a molecular weight of 474.67 g/mol. Its IUPAC name is (2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane.

Molecular Properties

Compound Name(2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane
PubChem CID90750737
Molecular FormulaC29H47O3P
Molecular Weight474.67 g/mol
Exact Mass474.33
IUPAC Name(2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane
SMILESCCC.COP(Oc1ccc(C)cc1C(C)(C)C)Oc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C26H39O3P.C3H8/c1-18-12-14-22(20(16-18)25(5,6)7)28-30(27-11)29-23-15-13-19(24(2,3)4)17-21(23)26(8,9)10;1-3-2/h12-17H,1-11H3;3H2,1-2H3
InChIKeyBHRRGTKCLRTNBU-UHFFFAOYSA-N
XLogP9.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.67
LogP ≤ 59.63
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

2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane
CID 139718939
(2,4-ditert-butylphenoxy)-dimethylphosphane
CID 19091733
tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite
CID 66925984
(2-tert-butyl-4-methylphenyl) dihydrogen phosphite
CID 19741799
dibismuth;tris((2,4-ditert-butylphenyl) phosphite)
CID 159144248
[2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite
CID 58841208
(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159985357
ditert-butyl-(2,4-ditert-butylphenoxy)phosphane
CID 137456665
bis(3,6-ditert-butylnaphthalen-2-yl) (2,4-ditert-butylphenyl) phosphite
CID 23002702
(2,4-ditert-butylphenyl) ethanesulfonate
CID 86639499
bis(2,4-ditert-butyl-3-methylphenyl) methyl phosphite
CID 54534600
(2-tert-butyl-4-methylphenyl) dihydrogen phosphite;tris(2-nonylphenyl) phosphite
CID 160501939

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane?
The IUPAC name of (2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane (CID 90750737) is (2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane.
What is the SMILES notation for (2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane?
The canonical SMILES for (2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane is CCC.COP(Oc1ccc(C)cc1C(C)(C)C)Oc1ccc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of (2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane?
The InChIKey is BHRRGTKCLRTNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39O3P.C3H8/c1-18-12-14-22(20(16-18)25(5,6)7)28-30(27-11)29-23-15-13-19(24(2,3)4)17-21(23)26(8,9)10;1-3-2/h12-17H,1-11H3;3H2,1-2H3.
What are the key properties of (2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane?
(2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane has a molecular weight of 474.67 g/mol, XLogP of 9.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane is sourced from PubChem (CID 90750737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).