[2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite

C29H45O3P — CID 58841208

IUPAC[2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite
SMILESCOP(Oc1ccc(C(C)(C)C)cc1CC(C)C)Oc1ccc(CC(C)C)cc1C(C)(C)C
InChIInChI=1S/C29H45O3P/c1-20(2)16-22-12-14-27(25(18-22)29(8,9)10)32-33(30-11)31-26-15-13-24(28(5,6)7)19-23(26)17-21(3)4/h12-15,18-21H,16-17H2,1-11H3
InChIKeyCAJFDBHXKLDZLF-UHFFFAOYSA-N
MW472.65 g/mol
LogP9.01
Rot. Bonds9

About [2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite

[2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite (PubChem CID 58841208) has the molecular formula C29H45O3P and a molecular weight of 472.65 g/mol. Its IUPAC name is [2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite.

Molecular Properties

Compound Name[2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite
PubChem CID58841208
Molecular FormulaC29H45O3P
Molecular Weight472.65 g/mol
Exact Mass472.31
IUPAC Name[2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite
SMILESCOP(Oc1ccc(C(C)(C)C)cc1CC(C)C)Oc1ccc(CC(C)C)cc1C(C)(C)C
InChIInChI=1S/C29H45O3P/c1-20(2)16-22-12-14-27(25(18-22)29(8,9)10)32-33(30-11)31-26-15-13-24(28(5,6)7)19-23(26)17-21(3)4/h12-15,18-21H,16-17H2,1-11H3
InChIKeyCAJFDBHXKLDZLF-UHFFFAOYSA-N
XLogP9.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.65
LogP ≤ 59.01
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-tert-butyl-4-methylphenyl) (2,4-ditert-butylphenyl) methyl phosphite;propane
CID 90750737
2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane
CID 139718939
1-[bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]methoxy]-2-tert-butyl-4-(2-methylpropyl)benzene;9-[2-tert-butyl-4-(2-methylpropyl)phenoxy]-3-(2,4-ditert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane
CID 158804027
(2,4-ditert-butylphenoxy)-dimethylphosphane
CID 19091733
2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene
CID 139403851
dibismuth;tris((2,4-ditert-butylphenyl) phosphite)
CID 159144248
1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705
1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82262287
1-bromo-4-tert-butyl-2-(2-methylpropyl)benzene;1-tert-butyl-3-(2-methylpropyl)benzene
CID 163429812
2-methoxy-1,4-bis(2-methylpropyl)benzene
CID 91036364
(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159985357
ditert-butyl-(2,4-ditert-butylphenoxy)phosphane
CID 137456665

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite?
The IUPAC name of [2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite (CID 58841208) is [2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite.
What is the SMILES notation for [2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite?
The canonical SMILES for [2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite is COP(Oc1ccc(C(C)(C)C)cc1CC(C)C)Oc1ccc(CC(C)C)cc1C(C)(C)C.
What is the InChIKey of [2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite?
The InChIKey is CAJFDBHXKLDZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45O3P/c1-20(2)16-22-12-14-27(25(18-22)29(8,9)10)32-33(30-11)31-26-15-13-24(28(5,6)7)19-23(26)17-21(3)4/h12-15,18-21H,16-17H2,1-11H3.
What are the key properties of [2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite?
[2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite has a molecular weight of 472.65 g/mol, XLogP of 9.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-4-(2-methylpropyl)phenyl] [4-tert-butyl-2-(2-methylpropyl)phenyl] methyl phosphite is sourced from PubChem (CID 58841208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).