sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate

C9H14NaO4P — CID 174297750

IUPACsodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate
SMILESCC(C)c1ccc(OP(=O)(O)O)cc1.[H-].[Na+]
InChIInChI=1S/C9H13O4P.Na.H/c1-7(2)8-3-5-9(6-4-8)13-14(10,11)12;;/h3-7H,1-2H3,(H2,10,11,12);;/q;+1;-1
InChIKeyVWOCNPZLMZNIGT-UHFFFAOYSA-N
MW240.17 g/mol
LogP-0.60
Rot. Bonds3

About sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate

sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate (PubChem CID 174297750) has the molecular formula C9H14NaO4P and a molecular weight of 240.17 g/mol. Its IUPAC name is sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Namesodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate
PubChem CID174297750
Molecular FormulaC9H14NaO4P
Molecular Weight240.17 g/mol
Exact Mass240.05
IUPAC Namesodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate
SMILESCC(C)c1ccc(OP(=O)(O)O)cc1.[H-].[Na+]
InChIInChI=1S/C9H13O4P.Na.H/c1-7(2)8-3-5-9(6-4-8)13-14(10,11)12;;/h3-7H,1-2H3,(H2,10,11,12);;/q;+1;-1
InChIKeyVWOCNPZLMZNIGT-UHFFFAOYSA-N
XLogP-0.60
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(1-hydroxyethyl)phenyl] dihydrogen phosphate
CID 141313491
magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate
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CID 172652800
CID 172652800
(4-propan-2-ylphenyl) propyl hydrogen phosphate
CID 175182097
[4-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl] dihydrogen phosphate
CID 22234939
tris[[methyl-(4-propan-2-ylphenoxy)phosphoryl]oxy]alumane
CID 141386730
[hydroxy-(4-propan-2-ylphenoxy)phosphoryl] benzoate
CID 175426192
[4-(3-amino-2-methyl-3-oxopropyl)phenyl] dihydrogen phosphate
CID 58672481
(2-methoxy-4-propan-2-ylphenyl) dihydrogen phosphate
CID 22952871
[4-[4-[4-(2-methylpropanoyl)phenyl]phenyl]phenyl] dihydrogen phosphate
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bis(2,3,4,5,6-pentadeuteriophenyl) (4-propan-2-ylphenyl) phosphate
CID 139025843

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate?
The IUPAC name of sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate (CID 174297750) is sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate.
What is the SMILES notation for sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate?
The canonical SMILES for sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate is CC(C)c1ccc(OP(=O)(O)O)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate?
The InChIKey is VWOCNPZLMZNIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O4P.Na.H/c1-7(2)8-3-5-9(6-4-8)13-14(10,11)12;;/h3-7H,1-2H3,(H2,10,11,12);;/q;+1;-1.
What are the key properties of sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate?
sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate has a molecular weight of 240.17 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate is sourced from PubChem (CID 174297750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).