(2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid

C8H8O6S — CID 141261385

IUPAC(2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid
SMILESCOc1ccc(C(=O)S(=O)(=O)O)c(O)c1
InChIInChI=1S/C8H8O6S/c1-14-5-2-3-6(7(9)4-5)8(10)15(11,12)13/h2-4,9H,1H3,(H,11,12,13)
InChIKeyFEIVFRAXFBYIPU-UHFFFAOYSA-N
MW232.21 g/mol
LogP0.43
Rot. Bonds2

About (2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid

(2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid (PubChem CID 141261385) has the molecular formula C8H8O6S and a molecular weight of 232.21 g/mol. Its IUPAC name is (2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid.

Molecular Properties

Compound Name(2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid
PubChem CID141261385
Molecular FormulaC8H8O6S
Molecular Weight232.21 g/mol
Exact Mass232.00
IUPAC Name(2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid
SMILESCOc1ccc(C(=O)S(=O)(=O)O)c(O)c1
InChIInChI=1S/C8H8O6S/c1-14-5-2-3-6(7(9)4-5)8(10)15(11,12)13/h2-4,9H,1H3,(H,11,12,13)
InChIKeyFEIVFRAXFBYIPU-UHFFFAOYSA-N
XLogP0.43
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxy-4-methoxybenzoyl)benzenesulfonic acid
CID 101277642
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
1-(2,4-dimethoxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
CID 14018354
ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
CID 144990982
2-hydroxy-3-(2-hydroxy-4-methoxybenzoyl)-6-methoxybenzenesulfonic acid
CID 23208531
disodium;hydride;4-hydroxy-5-(2-hydroxy-4-methoxybenzoyl)-2-methoxybenzenesulfonic acid
CID 173197919
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
methyl 2-hydroxy-4-sulfooxybenzoate
CID 102439908
3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 74327076
CID 175499515
CID 175499515
(E)-4-(2-hydroxy-4-methoxyphenyl)-4-oxobut-2-enoic acid
CID 12741452
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid?
The IUPAC name of (2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid (CID 141261385) is (2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid.
What is the SMILES notation for (2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid?
The canonical SMILES for (2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid is COc1ccc(C(=O)S(=O)(=O)O)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid?
The InChIKey is FEIVFRAXFBYIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O6S/c1-14-5-2-3-6(7(9)4-5)8(10)15(11,12)13/h2-4,9H,1H3,(H,11,12,13).
What are the key properties of (2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid?
(2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid has a molecular weight of 232.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid is sourced from PubChem (CID 141261385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).