(4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium

C20H26O2P+ — CID 69002198

IUPAC(4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium
SMILESCC(C)(C)c1ccc(O[P+](=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H26O2P/c1-19(2,3)15-7-11-17(12-8-15)22-23(21)18-13-9-16(10-14-18)20(4,5)6/h7-14H,1-6H3/q+1
InChIKeyJAEVMBIFVCQZRF-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.73
Rot. Bonds3

About (4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium

(4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium (PubChem CID 69002198) has the molecular formula C20H26O2P+ and a molecular weight of 329.40 g/mol. Its IUPAC name is (4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium.

Molecular Properties

Compound Name(4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium
PubChem CID69002198
Molecular FormulaC20H26O2P+
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium
SMILESCC(C)(C)c1ccc(O[P+](=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H26O2P/c1-19(2,3)15-7-11-17(12-8-15)22-23(21)18-13-9-16(10-14-18)20(4,5)6/h7-14H,1-6H3/q+1
InChIKeyJAEVMBIFVCQZRF-UHFFFAOYSA-N
XLogP5.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-tert-butylphenyl) formate
CID 15727718
(4-tert-butylphenyl) 4-tert-butylbenzoate;ethane
CID 157202631
1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene
CID 153290833
(4-tert-butylphenyl) [4-(trifluoromethyl)phenyl] carbonate
CID 70424353
(4-tert-butylphenyl) diphenyl phosphite
CID 19796180
(4-tert-butylphenoxy)methanethioic S-acid
CID 87914194
(4-tert-butylphenoxy)-methylphosphinate
CID 2313159
1-tert-butyl-4-methylsulfanyloxybenzene
CID 14212448
(4-tert-butylphenoxy)-methylalumanylium
CID 21461042
N-(4-tert-butylphenoxy)methanamine
CID 170041711
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
bis(4-tert-butylphenyl) propanedioate
CID 56991121

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium?
The IUPAC name of (4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium (CID 69002198) is (4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium.
What is the SMILES notation for (4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium?
The canonical SMILES for (4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium is CC(C)(C)c1ccc(O[P+](=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of (4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium?
The InChIKey is JAEVMBIFVCQZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2P/c1-19(2,3)15-7-11-17(12-8-15)22-23(21)18-13-9-16(10-14-18)20(4,5)6/h7-14H,1-6H3/q+1.
What are the key properties of (4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium?
(4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium has a molecular weight of 329.40 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenoxy)-(4-tert-butylphenyl)-oxophosphanium is sourced from PubChem (CID 69002198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).