tris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite

C33H45O6P — CID 175167608

IUPACtris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite
SMILESCc1cc(OP(Oc2cc(C)c(O)cc2C(C)(C)C)Oc2cc(C)c(O)cc2C(C)(C)C)c(C(C)(C)C)cc1O
InChIInChI=1S/C33H45O6P/c1-19-13-28(22(16-25(19)34)31(4,5)6)37-40(38-29-14-20(2)26(35)17-23(29)32(7,8)9)39-30-15-21(3)27(36)18-24(30)33(10,11)12/h13-18,34-36H,1-12H3
InChIKeyNEEWWGZAULKCSB-UHFFFAOYSA-N
MW568.69 g/mol
LogP9.38
Rot. Bonds6

About tris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite

tris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite (PubChem CID 175167608) has the molecular formula C33H45O6P and a molecular weight of 568.69 g/mol. Its IUPAC name is tris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite.

Molecular Properties

Compound Nametris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite
PubChem CID175167608
Molecular FormulaC33H45O6P
Molecular Weight568.69 g/mol
Exact Mass568.30
IUPAC Nametris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite
SMILESCc1cc(OP(Oc2cc(C)c(O)cc2C(C)(C)C)Oc2cc(C)c(O)cc2C(C)(C)C)c(C(C)(C)C)cc1O
InChIInChI=1S/C33H45O6P/c1-19-13-28(22(16-25(19)34)31(4,5)6)37-40(38-29-14-20(2)26(35)17-23(29)32(7,8)9)39-30-15-21(3)27(36)18-24(30)33(10,11)12/h13-18,34-36H,1-12H3
InChIKeyNEEWWGZAULKCSB-UHFFFAOYSA-N
XLogP9.38
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.69
LogP ≤ 59.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tris(3-tert-butylnaphthalen-2-yl) phosphite
CID 19087278
[4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite
CID 142908247
(2-tert-butyl-4-hydroxy-5-methylphenyl) pentanoate
CID 175594196
5-tert-butyl-4-ethyl-2-methylphenol
CID 142192089
2,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenol
CID 130032537
[4-[1,3-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-2-tert-butyl-5-methylphenyl] dihydrogen phosphite
CID 87663978
bis(2,4-ditert-butyl-5-methylphenoxy)-phenylphosphane
CID 58892302
4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol
CID 22041993
bis(3,6-ditert-butylnaphthalen-2-yl) (2,4-ditert-butylphenyl) phosphite
CID 23002702
bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite
CID 54014526
bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite
CID 59005147
tris(2,3,4,5-tetramethylphenyl) phosphite
CID 153324599

Frequently Asked Questions

What is the IUPAC name of tris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite?
The IUPAC name of tris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite (CID 175167608) is tris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite.
What is the SMILES notation for tris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite?
The canonical SMILES for tris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite is Cc1cc(OP(Oc2cc(C)c(O)cc2C(C)(C)C)Oc2cc(C)c(O)cc2C(C)(C)C)c(C(C)(C)C)cc1O.
What is the InChIKey of tris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite?
The InChIKey is NEEWWGZAULKCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45O6P/c1-19-13-28(22(16-25(19)34)31(4,5)6)37-40(38-29-14-20(2)26(35)17-23(29)32(7,8)9)39-30-15-21(3)27(36)18-24(30)33(10,11)12/h13-18,34-36H,1-12H3.
What are the key properties of tris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite?
tris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite has a molecular weight of 568.69 g/mol, XLogP of 9.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite is sourced from PubChem (CID 175167608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).