sodium naphthalen-2-yl hydrogen phosphate

C10H8NaO4P — CID 23700943

IUPACsodium naphthalen-2-yl hydrogen phosphate
SMILESO=P([O-])(O)Oc1ccc2ccccc2c1.[Na+]
InChIInChI=1S/C10H9O4P.Na/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H2,11,12,13);/q;+1/p-1
InChIKeyGHMHDIFFBHLXTJ-UHFFFAOYSA-M
MW246.13 g/mol
LogP-1.32
Rot. Bonds2

About sodium naphthalen-2-yl hydrogen phosphate

sodium naphthalen-2-yl hydrogen phosphate (PubChem CID 23700943) has the molecular formula C10H8NaO4P and a molecular weight of 246.13 g/mol. Its IUPAC name is sodium naphthalen-2-yl hydrogen phosphate.

Molecular Properties

Compound Namesodium naphthalen-2-yl hydrogen phosphate
PubChem CID23700943
Molecular FormulaC10H8NaO4P
Molecular Weight246.13 g/mol
Exact Mass246.01
IUPAC Namesodium naphthalen-2-yl hydrogen phosphate
SMILESO=P([O-])(O)Oc1ccc2ccccc2c1.[Na+]
InChIInChI=1S/C10H9O4P.Na/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H2,11,12,13);/q;+1/p-1
InChIKeyGHMHDIFFBHLXTJ-UHFFFAOYSA-M
XLogP-1.32
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 5-1.32
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

disodium;naphthalen-1-ol;naphthalen-2-yl phosphate
CID 159176752
cesium phenyl hydrogen phosphate
CID 175568082
naphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate
CID 18539749
(3-phosphonooxyphenyl) phosphate
CID 20547233
sodium 1-benzothiophene-2-carbonyl naphthalen-2-yl phosphate
CID 23670013
(4-aminophenyl) hydrogen phosphate
CID 171149328
bis(3,5-dimethylphenyl) naphthalen-2-yl phosphate
CID 139980297
(5-hydroxynaphthalen-2-yl) dihydrogen phosphate
CID 146268458
5-chlorothiophene-2-carboxylic acid;naphthalen-2-yl dihydrogen phosphate
CID 70198602
naphthalen-2-yl nitrate
CID 13161391
bis(4-tert-butylphenyl) naphthalen-2-yl phosphate
CID 139980260
2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene
CID 135017313

Frequently Asked Questions

What is the IUPAC name of sodium naphthalen-2-yl hydrogen phosphate?
The IUPAC name of sodium naphthalen-2-yl hydrogen phosphate (CID 23700943) is sodium naphthalen-2-yl hydrogen phosphate.
What is the SMILES notation for sodium naphthalen-2-yl hydrogen phosphate?
The canonical SMILES for sodium naphthalen-2-yl hydrogen phosphate is O=P([O-])(O)Oc1ccc2ccccc2c1.[Na+].
What is the InChIKey of sodium naphthalen-2-yl hydrogen phosphate?
The InChIKey is GHMHDIFFBHLXTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9O4P.Na/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H2,11,12,13);/q;+1/p-1.
What are the key properties of sodium naphthalen-2-yl hydrogen phosphate?
sodium naphthalen-2-yl hydrogen phosphate has a molecular weight of 246.13 g/mol, XLogP of -1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium naphthalen-2-yl hydrogen phosphate is sourced from PubChem (CID 23700943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).