2-(2,4-dimethoxyphenyl)ethanesulfinic acid

C10H14O4S — CID 68550384

IUPAC2-(2,4-dimethoxyphenyl)ethanesulfinic acid
SMILESCOc1ccc(CCS(=O)O)c(OC)c1
InChIInChI=1S/C10H14O4S/c1-13-9-4-3-8(5-6-15(11)12)10(7-9)14-2/h3-4,7H,5-6H2,1-2H3,(H,11,12)
InChIKeyMSUXZBNSDAOOPR-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.47
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)ethanesulfinic acid

2-(2,4-dimethoxyphenyl)ethanesulfinic acid (PubChem CID 68550384) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)ethanesulfinic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)ethanesulfinic acid
PubChem CID68550384
Molecular FormulaC10H14O4S
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name2-(2,4-dimethoxyphenyl)ethanesulfinic acid
SMILESCOc1ccc(CCS(=O)O)c(OC)c1
InChIInChI=1S/C10H14O4S/c1-13-9-4-3-8(5-6-15(11)12)10(7-9)14-2/h3-4,7H,5-6H2,1-2H3,(H,11,12)
InChIKeyMSUXZBNSDAOOPR-UHFFFAOYSA-N
XLogP1.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-3-(2,4-dimethoxyphenyl)propanamide
CID 171779335
3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one
CID 11558906
3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 115191281
(2-bromo-4-methoxyphenyl)methanesulfinic acid
CID 174497645
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
1-decyl-2,4-dimethoxybenzene
CID 524862
bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite
CID 69443369
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate
CID 115190775
4-(2,4-dimethoxyphenyl)-N-methoxybutanamide
CID 11608534

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)ethanesulfinic acid?
The IUPAC name of 2-(2,4-dimethoxyphenyl)ethanesulfinic acid (CID 68550384) is 2-(2,4-dimethoxyphenyl)ethanesulfinic acid.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)ethanesulfinic acid?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)ethanesulfinic acid is COc1ccc(CCS(=O)O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)ethanesulfinic acid?
The InChIKey is MSUXZBNSDAOOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S/c1-13-9-4-3-8(5-6-15(11)12)10(7-9)14-2/h3-4,7H,5-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(2,4-dimethoxyphenyl)ethanesulfinic acid?
2-(2,4-dimethoxyphenyl)ethanesulfinic acid has a molecular weight of 230.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)ethanesulfinic acid is sourced from PubChem (CID 68550384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).