sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride

C20H28NaO4P — CID 174748805

IUPACsodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride
SMILESCC(C)(C)c1ccc(OP(=O)(O)Oc2ccc(C(C)(C)C)cc2)cc1.[H-].[Na+]
InChIInChI=1S/C20H27O4P.Na.H/c1-19(2,3)15-7-11-17(12-8-15)23-25(21,22)24-18-13-9-16(10-14-18)20(4,5)6;;/h7-14H,1-6H3,(H,21,22);;/q;+1;-1
InChIKeyIFMZPBXXZWKPFV-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.96
Rot. Bonds4

About sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride

sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride (PubChem CID 174748805) has the molecular formula C20H28NaO4P and a molecular weight of 386.40 g/mol. Its IUPAC name is sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride.

Molecular Properties

Compound Namesodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride
PubChem CID174748805
Molecular FormulaC20H28NaO4P
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Namesodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride
SMILESCC(C)(C)c1ccc(OP(=O)(O)Oc2ccc(C(C)(C)C)cc2)cc1.[H-].[Na+]
InChIInChI=1S/C20H27O4P.Na.H/c1-19(2,3)15-7-11-17(12-8-15)23-25(21,22)24-18-13-9-16(10-14-18)20(4,5)6;;/h7-14H,1-6H3,(H,21,22);;/q;+1;-1
InChIKeyIFMZPBXXZWKPFV-UHFFFAOYSA-N
XLogP2.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[4-[hydroxy-(4-methylphenoxy)phosphoryl]oxyphenyl]propan-2-yl]phenyl] (4-methylphenyl) hydrogen phosphate
CID 23106977
bis[4-(trichloromethyl)phenyl] hydrogen phosphate
CID 87933742
1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene
CID 71670386
(4-tert-butylphenoxy)-methylphosphinate
CID 2313159
(4-tert-butylphenyl) dichloro phosphate
CID 141025972
(3-hydroxy-2,2-dimethylpropyl) [4-[2-[4-[hydroxy-(3-hydroxy-2,2-dimethylpropoxy)phosphoryl]oxyphenyl]propan-2-yl]phenyl] hydrogen phosphate
CID 22278044
4-[hydroxy-(4-methylphenoxy)phosphoryl]oxybenzoic acid
CID 71331221
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;dihydrate
CID 21115845
[4-[hydroxy(phosphonooxy)phosphoryl]oxyphenyl] phosphono hydrogen phosphate
CID 87621528
diphenyl hydrogen phosphate;silane
CID 175425543
(4-tritylphenyl) dihydrogen phosphate
CID 154267652

Frequently Asked Questions

What is the IUPAC name of sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride?
The IUPAC name of sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride (CID 174748805) is sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride.
What is the SMILES notation for sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride?
The canonical SMILES for sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride is CC(C)(C)c1ccc(OP(=O)(O)Oc2ccc(C(C)(C)C)cc2)cc1.[H-].[Na+].
What is the InChIKey of sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride?
The InChIKey is IFMZPBXXZWKPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O4P.Na.H/c1-19(2,3)15-7-11-17(12-8-15)23-25(21,22)24-18-13-9-16(10-14-18)20(4,5)6;;/h7-14H,1-6H3,(H,21,22);;/q;+1;-1.
What are the key properties of sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride?
sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride has a molecular weight of 386.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride is sourced from PubChem (CID 174748805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).