[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium

C28H42O4P+ — CID 21130801

IUPAC[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium
SMILESCC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O[P+](=O)O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C28H41O4P/c1-25(2,3)17-13-19(23(29)21(15-17)27(7,8)9)20-14-18(26(4,5)6)16-22(28(10,11)12)24(20)32-33(30)31/h13-16H,1-12H3,(H-,29,30,31)/p+1
InChIKeyPLQCURZISSCTLF-UHFFFAOYSA-O
MW473.61 g/mol
LogP8.28
Rot. Bonds3

About [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium

[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium (PubChem CID 21130801) has the molecular formula C28H42O4P+ and a molecular weight of 473.61 g/mol. Its IUPAC name is [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium
PubChem CID21130801
Molecular FormulaC28H42O4P+
Molecular Weight473.61 g/mol
Exact Mass473.28
IUPAC Name[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium
SMILESCC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O[P+](=O)O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C28H41O4P/c1-25(2,3)17-13-19(23(29)21(15-17)27(7,8)9)20-14-18(26(4,5)6)16-22(28(10,11)12)24(20)32-33(30)31/h13-16H,1-12H3,(H-,29,30,31)/p+1
InChIKeyPLQCURZISSCTLF-UHFFFAOYSA-O
XLogP8.28
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.61
LogP ≤ 58.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenol
CID 139721800
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol
CID 136669231
2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol
CID 102348051
dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane
CID 162081075
CID 135046337
CID 135046337
2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol
CID 135063895
3,5-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxybenzoyl)oxybenzoic acid
CID 175546183
bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)pentan-3-yloxy]-oxophosphanium
CID 87112308
2,4-ditert-butyl-6-thiophen-2-ylphenol
CID 89393414
(2,4,6-tritert-butylphenyl) nitrite
CID 14950011
3-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8-dihydroxychromen-2-one
CID 10022785

Frequently Asked Questions

What is the IUPAC name of [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium?
The IUPAC name of [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium (CID 21130801) is [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium is CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O[P+](=O)O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium?
The InChIKey is PLQCURZISSCTLF-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H41O4P/c1-25(2,3)17-13-19(23(29)21(15-17)27(7,8)9)20-14-18(26(4,5)6)16-22(28(10,11)12)24(20)32-33(30)31/h13-16H,1-12H3,(H-,29,30,31)/p+1.
What are the key properties of [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium?
[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium has a molecular weight of 473.61 g/mol, XLogP of 8.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 21130801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).