2,6-dimethoxynaphthalene-1,5-disulfonic acid

C12H12O8S2 — CID 15186435

IUPAC2,6-dimethoxynaphthalene-1,5-disulfonic acid
SMILESCOc1ccc2c(S(=O)(=O)O)c(OC)ccc2c1S(=O)(=O)O
InChIInChI=1S/C12H12O8S2/c1-19-9-5-3-8-7(11(9)21(13,14)15)4-6-10(20-2)12(8)22(16,17)18/h3-6H,1-2H3,(H,13,14,15)(H,16,17,18)
InChIKeyHGDMTDCWPGPZMX-UHFFFAOYSA-N
MW348.35 g/mol
LogP1.35
Rot. Bonds4

About 2,6-dimethoxynaphthalene-1,5-disulfonic acid

2,6-dimethoxynaphthalene-1,5-disulfonic acid (PubChem CID 15186435) has the molecular formula C12H12O8S2 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2,6-dimethoxynaphthalene-1,5-disulfonic acid.

Molecular Properties

Compound Name2,6-dimethoxynaphthalene-1,5-disulfonic acid
PubChem CID15186435
Molecular FormulaC12H12O8S2
Molecular Weight348.35 g/mol
Exact Mass348.00
IUPAC Name2,6-dimethoxynaphthalene-1,5-disulfonic acid
SMILESCOc1ccc2c(S(=O)(=O)O)c(OC)ccc2c1S(=O)(=O)O
InChIInChI=1S/C12H12O8S2/c1-19-9-5-3-8-7(11(9)21(13,14)15)4-6-10(20-2)12(8)22(16,17)18/h3-6H,1-2H3,(H,13,14,15)(H,16,17,18)
InChIKeyHGDMTDCWPGPZMX-UHFFFAOYSA-N
XLogP1.35
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,6-dimethoxybenzenesulfonic acid
CID 19746586
2-hydroxy-6-(3-hydroxy-4-methoxy-2-sulfobenzoyl)-3-methoxybenzenesulfonic acid
CID 21477999
6-amino-2-(aminomethyl)-3-methoxybenzenesulfonic acid
CID 22616944
2-chloro-3,4-dimethoxybenzenesulfonic acid
CID 140533382
2-methoxy-6-nitrobenzenesulfonic acid;hydrochloride
CID 88827921
1,4-dimethoxybenzo[7]annulen-7-one
CID 11042148
calcium;3,4-dimethoxybenzenesulfonic acid;hydride
CID 174743928
4-methoxybenzene-1,3-disulfonic acid
CID 54483925
2-hydroxy-3-(2-hydroxy-4-methoxybenzoyl)-6-methoxybenzenesulfonic acid
CID 23208531
3-bromo-4-methoxybenzenesulfonic acid;hydrochloride
CID 174435857
3-fluoro-4-methoxybenzenesulfonic acid;hydrochloride
CID 174836017
5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride
CID 174820317

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxynaphthalene-1,5-disulfonic acid?
The IUPAC name of 2,6-dimethoxynaphthalene-1,5-disulfonic acid (CID 15186435) is 2,6-dimethoxynaphthalene-1,5-disulfonic acid.
What is the SMILES notation for 2,6-dimethoxynaphthalene-1,5-disulfonic acid?
The canonical SMILES for 2,6-dimethoxynaphthalene-1,5-disulfonic acid is COc1ccc2c(S(=O)(=O)O)c(OC)ccc2c1S(=O)(=O)O.
What is the InChIKey of 2,6-dimethoxynaphthalene-1,5-disulfonic acid?
The InChIKey is HGDMTDCWPGPZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O8S2/c1-19-9-5-3-8-7(11(9)21(13,14)15)4-6-10(20-2)12(8)22(16,17)18/h3-6H,1-2H3,(H,13,14,15)(H,16,17,18).
What are the key properties of 2,6-dimethoxynaphthalene-1,5-disulfonic acid?
2,6-dimethoxynaphthalene-1,5-disulfonic acid has a molecular weight of 348.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxynaphthalene-1,5-disulfonic acid is sourced from PubChem (CID 15186435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).