sodium naphthalen-1-yl hydrogen phosphate

C10H8NaO4P — CID 2114

IUPACsodium naphthalen-1-yl hydrogen phosphate
SMILESO=P([O-])(O)Oc1cccc2ccccc12.[Na+]
InChIInChI=1S/C10H9O4P.Na/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H2,11,12,13);/q;+1/p-1
InChIKeyDELRLFMUZXCKAR-UHFFFAOYSA-M
MW246.13 g/mol
LogP-1.32
Rot. Bonds2

About sodium naphthalen-1-yl hydrogen phosphate

sodium naphthalen-1-yl hydrogen phosphate (PubChem CID 2114) has the molecular formula C10H8NaO4P and a molecular weight of 246.13 g/mol. Its IUPAC name is sodium naphthalen-1-yl hydrogen phosphate.

Molecular Properties

Compound Namesodium naphthalen-1-yl hydrogen phosphate
PubChem CID2114
Molecular FormulaC10H8NaO4P
Molecular Weight246.13 g/mol
Exact Mass246.01
IUPAC Namesodium naphthalen-1-yl hydrogen phosphate
SMILESO=P([O-])(O)Oc1cccc2ccccc12.[Na+]
InChIInChI=1S/C10H9O4P.Na/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H2,11,12,13);/q;+1/p-1
InChIKeyDELRLFMUZXCKAR-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

1-Naphthol
CID 7005
1,4-Naphthalenediol
CID 11305
1,5-Dihydroxynaphthalene
CID 6749
1,6-Dihydroxynaphthalene
CID 68463
Tris(3,4-xylenyl)phosphate
CID 248886
Naphthalene-1,7-diol
CID 68462
Menadiol Sodium Diphosphate
CID 197855
Kappadione
CID 8555
1,8-Dihydroxynaphthalene
CID 68438
Menadiol Diphosphate
CID 8556
Naphthyl phosphate
CID 2115
Phenol, dipentyl-, 1-(dihydrogen phosphate)
CID 116457

Frequently Asked Questions

What is the IUPAC name of sodium naphthalen-1-yl hydrogen phosphate?
The IUPAC name of sodium naphthalen-1-yl hydrogen phosphate (CID 2114) is sodium naphthalen-1-yl hydrogen phosphate.
What is the SMILES notation for sodium naphthalen-1-yl hydrogen phosphate?
The canonical SMILES for sodium naphthalen-1-yl hydrogen phosphate is O=P([O-])(O)Oc1cccc2ccccc12.[Na+].
What is the InChIKey of sodium naphthalen-1-yl hydrogen phosphate?
The InChIKey is DELRLFMUZXCKAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9O4P.Na/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H2,11,12,13);/q;+1/p-1.
What are the key properties of sodium naphthalen-1-yl hydrogen phosphate?
sodium naphthalen-1-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-1-yl hydrogen phosphate is sourced from PubChem (CID 2114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).