4-hydroxy-6-methoxybenzene-1,3-disulfonic acid

C7H8O8S2 — CID 14197010

IUPAC4-hydroxy-6-methoxybenzene-1,3-disulfonic acid
SMILESCOc1cc(O)c(S(=O)(=O)O)cc1S(=O)(=O)O
InChIInChI=1S/C7H8O8S2/c1-15-5-2-4(8)6(16(9,10)11)3-7(5)17(12,13)14/h2-3,8H,1H3,(H,9,10,11)(H,12,13,14)
InChIKeySYLBUPLSVFJNBR-UHFFFAOYSA-N
MW284.27 g/mol
LogP-0.11
Rot. Bonds3

About 4-hydroxy-6-methoxybenzene-1,3-disulfonic acid

4-hydroxy-6-methoxybenzene-1,3-disulfonic acid (PubChem CID 14197010) has the molecular formula C7H8O8S2 and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-hydroxy-6-methoxybenzene-1,3-disulfonic acid.

Molecular Properties

Compound Name4-hydroxy-6-methoxybenzene-1,3-disulfonic acid
PubChem CID14197010
Molecular FormulaC7H8O8S2
Molecular Weight284.27 g/mol
Exact Mass283.97
IUPAC Name4-hydroxy-6-methoxybenzene-1,3-disulfonic acid
SMILESCOc1cc(O)c(S(=O)(=O)O)cc1S(=O)(=O)O
InChIInChI=1S/C7H8O8S2/c1-15-5-2-4(8)6(16(9,10)11)3-7(5)17(12,13)14/h2-3,8H,1H3,(H,9,10,11)(H,12,13,14)
InChIKeySYLBUPLSVFJNBR-UHFFFAOYSA-N
XLogP-0.11
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-formyl-2-hydroxy-4-methoxybenzenesulfonic acid
CID 54046139
sodium 4-hydroxy-5-(2-hydroxy-4-methoxy-5-sulfobenzoyl)-2-methoxybenzenesulfonic acid
CID 18798261
2-methoxy-5-sulfooxybenzene-1,4-disulfonic acid
CID 14199597
4-hydroxy-5-(2-hydroxybenzoyl)-2-methoxybenzenesulfonic acid
CID 20829569
4-hydroxy-2-(5-hydroxy-4-methoxy-2-sulfophenoxy)-5-methylbenzenesulfonic acid
CID 89118207
5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
CID 87073687
5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
CID 19988
CID 173398336
CID 173398336
2-amino-5-methoxybenzene-1,4-disulfonic acid;benzene
CID 163746802
azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid
CID 146681212
potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride
CID 173216903
4-methoxybenzene-1,3-disulfonic acid
CID 54483925

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methoxybenzene-1,3-disulfonic acid?
The IUPAC name of 4-hydroxy-6-methoxybenzene-1,3-disulfonic acid (CID 14197010) is 4-hydroxy-6-methoxybenzene-1,3-disulfonic acid.
What is the SMILES notation for 4-hydroxy-6-methoxybenzene-1,3-disulfonic acid?
The canonical SMILES for 4-hydroxy-6-methoxybenzene-1,3-disulfonic acid is COc1cc(O)c(S(=O)(=O)O)cc1S(=O)(=O)O.
What is the InChIKey of 4-hydroxy-6-methoxybenzene-1,3-disulfonic acid?
The InChIKey is SYLBUPLSVFJNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O8S2/c1-15-5-2-4(8)6(16(9,10)11)3-7(5)17(12,13)14/h2-3,8H,1H3,(H,9,10,11)(H,12,13,14).
What are the key properties of 4-hydroxy-6-methoxybenzene-1,3-disulfonic acid?
4-hydroxy-6-methoxybenzene-1,3-disulfonic acid has a molecular weight of 284.27 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methoxybenzene-1,3-disulfonic acid is sourced from PubChem (CID 14197010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).