dipotassium;6-methoxynaphthalene-1,3-disulfonate

C11H8K2O7S2 — CID 167387667

IUPACdipotassium;6-methoxynaphthalene-1,3-disulfonate
SMILESCOc1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2c1.[K+].[K+]
InChIInChI=1S/C11H10O7S2.2K/c1-18-8-2-3-10-7(4-8)5-9(19(12,13)14)6-11(10)20(15,16)17;;/h2-6H,1H3,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyHGEOLUBBLQCHAN-UHFFFAOYSA-L
MW394.51 g/mol
LogP-5.34
Rot. Bonds3

About dipotassium;6-methoxynaphthalene-1,3-disulfonate

dipotassium;6-methoxynaphthalene-1,3-disulfonate (PubChem CID 167387667) has the molecular formula C11H8K2O7S2 and a molecular weight of 394.51 g/mol. Its IUPAC name is dipotassium;6-methoxynaphthalene-1,3-disulfonate.

Molecular Properties

Compound Namedipotassium;6-methoxynaphthalene-1,3-disulfonate
PubChem CID167387667
Molecular FormulaC11H8K2O7S2
Molecular Weight394.51 g/mol
Exact Mass393.90
IUPAC Namedipotassium;6-methoxynaphthalene-1,3-disulfonate
SMILESCOc1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2c1.[K+].[K+]
InChIInChI=1S/C11H10O7S2.2K/c1-18-8-2-3-10-7(4-8)5-9(19(12,13)14)6-11(10)20(15,16)17;;/h2-6H,1H3,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyHGEOLUBBLQCHAN-UHFFFAOYSA-L
XLogP-5.34
TPSA123.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 5-5.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze dipotassium;6-methoxynaphthalene-1,3-disulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dipotassium;6-aminonaphthalene-1,3-disulfonate
CID 2762591
disodium;6-iodonaphthalene-1,3-disulfonate
CID 25229433
disodium;6-borononaphthalene-1,3-disulfonate
CID 25229311
6-(furan-2-yl)naphthalene-1,3-disulfonate
CID 168525686
iron;6-methoxynaphthalene-2-sulfonic acid
CID 87610362
lithium 2-amino-5-methoxybenzenesulfonate
CID 101304006
disodium;7-methylnaphthalene-1,3-disulfonate
CID 20739188
7-methoxynaphthalene-2-sulfonyl chloride
CID 10515266
6-(1,3-dioxoisoindol-2-yl)naphthalene-1,3-disulfonate
CID 168517075
6,7-dimethoxynaphthalene-2-sulfonate
CID 18415261
6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
CID 100505966
diazanium;7-aminonaphthalene-1,3,6-trisulfonate
CID 139595142

Frequently Asked Questions

What is the IUPAC name of dipotassium;6-methoxynaphthalene-1,3-disulfonate?
The IUPAC name of dipotassium;6-methoxynaphthalene-1,3-disulfonate (CID 167387667) is dipotassium;6-methoxynaphthalene-1,3-disulfonate.
What is the SMILES notation for dipotassium;6-methoxynaphthalene-1,3-disulfonate?
The canonical SMILES for dipotassium;6-methoxynaphthalene-1,3-disulfonate is COc1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2c1.[K+].[K+].
What is the InChIKey of dipotassium;6-methoxynaphthalene-1,3-disulfonate?
The InChIKey is HGEOLUBBLQCHAN-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H10O7S2.2K/c1-18-8-2-3-10-7(4-8)5-9(19(12,13)14)6-11(10)20(15,16)17;;/h2-6H,1H3,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2.
What are the key properties of dipotassium;6-methoxynaphthalene-1,3-disulfonate?
dipotassium;6-methoxynaphthalene-1,3-disulfonate has a molecular weight of 394.51 g/mol, XLogP of -5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;6-methoxynaphthalene-1,3-disulfonate is sourced from PubChem (CID 167387667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).