sodium naphthalene-2,3-diol

C10H8NaO2+ — CID 23069442

IUPACsodium naphthalene-2,3-diol
SMILESOc1cc2ccccc2cc1O.[Na+]
InChIInChI=1S/C10H8O2.Na/c11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-6,11-12H;/q;+1
InChIKeyMJUBFIBNKRTWQE-UHFFFAOYSA-N
MW183.16 g/mol
LogP-0.75
Rot. Bonds

About sodium naphthalene-2,3-diol

sodium naphthalene-2,3-diol (PubChem CID 23069442) has the molecular formula C10H8NaO2+ and a molecular weight of 183.16 g/mol. Its IUPAC name is sodium naphthalene-2,3-diol.

Molecular Properties

Compound Namesodium naphthalene-2,3-diol
PubChem CID23069442
Molecular FormulaC10H8NaO2+
Molecular Weight183.16 g/mol
Exact Mass183.04
IUPAC Namesodium naphthalene-2,3-diol
SMILESOc1cc2ccccc2cc1O.[Na+]
InChIInChI=1S/C10H8O2.Na/c11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-6,11-12H;/q;+1
InChIKeyMJUBFIBNKRTWQE-UHFFFAOYSA-N
XLogP-0.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

naphthalene-2,3-diol;titanium
CID 87616563
sodium;anthracene;hydride
CID 173035649
phenanthrene-2,3-diol
CID 23048019
3-aminoanthracen-2-ol
CID 22413182
3-(4-hydroxyphenyl)naphthalen-2-ol
CID 173247043
CID 158474185
CID 158474185
anthracene;silane
CID 131739126
lithium anthracene
CID 22662646
anthracene;vanadium
CID 173418141
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
3-hydroxynaphthalene-2-carboxamide
CID 19317
CID 69256301
CID 69256301

Frequently Asked Questions

What is the IUPAC name of sodium naphthalene-2,3-diol?
The IUPAC name of sodium naphthalene-2,3-diol (CID 23069442) is sodium naphthalene-2,3-diol.
What is the SMILES notation for sodium naphthalene-2,3-diol?
The canonical SMILES for sodium naphthalene-2,3-diol is Oc1cc2ccccc2cc1O.[Na+].
What is the InChIKey of sodium naphthalene-2,3-diol?
The InChIKey is MJUBFIBNKRTWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.Na/c11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-6,11-12H;/q;+1.
What are the key properties of sodium naphthalene-2,3-diol?
sodium naphthalene-2,3-diol has a molecular weight of 183.16 g/mol, XLogP of -0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium naphthalene-2,3-diol is sourced from PubChem (CID 23069442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).