3-ethyl-2-hydroxybenzenesulfonic acid

C8H10O4S — CID 19033634

IUPAC3-ethyl-2-hydroxybenzenesulfonic acid
SMILESCCc1cccc(S(=O)(=O)O)c1O
InChIInChI=1S/C8H10O4S/c1-2-6-4-3-5-7(8(6)9)13(10,11)12/h3-5,9H,2H2,1H3,(H,10,11,12)
InChIKeyDXUIOCUQOMEYBZ-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.20
Rot. Bonds2

About 3-ethyl-2-hydroxybenzenesulfonic acid

3-ethyl-2-hydroxybenzenesulfonic acid (PubChem CID 19033634) has the molecular formula C8H10O4S and a molecular weight of 202.23 g/mol. Its IUPAC name is 3-ethyl-2-hydroxybenzenesulfonic acid.

Molecular Properties

Compound Name3-ethyl-2-hydroxybenzenesulfonic acid
PubChem CID19033634
Molecular FormulaC8H10O4S
Molecular Weight202.23 g/mol
Exact Mass202.03
IUPAC Name3-ethyl-2-hydroxybenzenesulfonic acid
SMILESCCc1cccc(S(=O)(=O)O)c1O
InChIInChI=1S/C8H10O4S/c1-2-6-4-3-5-7(8(6)9)13(10,11)12/h3-5,9H,2H2,1H3,(H,10,11,12)
InChIKeyDXUIOCUQOMEYBZ-UHFFFAOYSA-N
XLogP1.20
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-octadecylbenzenesulfonic acid
CID 20563300
3-ethyl-2-sulfanylbenzenesulfonic acid
CID 87251057
8-ethylnaphthalene-1-sulfonic acid
CID 101314983
2-hydroxy-3-[(2,3,4-trichlorophenyl)methyl]benzenesulfonic acid
CID 20836215
2-ethyl-6-(3-ethyl-2-hydroxyphenyl)phenol
CID 14783606
2-hydroxy-3-[3-(octanoylamino)octyl]benzenesulfonic acid
CID 90967618
bis(2,6-diethylphenol);1,4-xylene
CID 160641052
8-ethyl-5-methylnaphthalene-1-sulfonic acid
CID 168755774
3-octylbenzene-1,2-disulfonic acid
CID 18944592
3-nonylbenzene-1,2-disulfonic acid
CID 18944644
3-octadecylbenzene-1,2-disulfonic acid
CID 18944543
3-(aminomethyl)benzene-1,2-disulfonic acid
CID 19016710

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxybenzenesulfonic acid?
The IUPAC name of 3-ethyl-2-hydroxybenzenesulfonic acid (CID 19033634) is 3-ethyl-2-hydroxybenzenesulfonic acid.
What is the SMILES notation for 3-ethyl-2-hydroxybenzenesulfonic acid?
The canonical SMILES for 3-ethyl-2-hydroxybenzenesulfonic acid is CCc1cccc(S(=O)(=O)O)c1O.
What is the InChIKey of 3-ethyl-2-hydroxybenzenesulfonic acid?
The InChIKey is DXUIOCUQOMEYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4S/c1-2-6-4-3-5-7(8(6)9)13(10,11)12/h3-5,9H,2H2,1H3,(H,10,11,12).
What are the key properties of 3-ethyl-2-hydroxybenzenesulfonic acid?
3-ethyl-2-hydroxybenzenesulfonic acid has a molecular weight of 202.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxybenzenesulfonic acid is sourced from PubChem (CID 19033634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).