1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol

C20H28N2O6S — CID 86739755

IUPAC1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol
SMILESCOc1cc(C(O)CS(=O)(=O)CC(O)c2cc(OC)c(N)cc2C)c(C)cc1N
InChIInChI=1S/C20H28N2O6S/c1-11-5-15(21)19(27-3)7-13(11)17(23)9-29(25,26)10-18(24)14-8-20(28-4)16(22)6-12(14)2/h5-8,17-18,23-24H,9-10,21-22H2,1-4H3
InChIKeyGEYOOZSDGPYUED-UHFFFAOYSA-N
MW424.52 g/mol
LogP1.67
Rot. Bonds8

About 1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol

1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol (PubChem CID 86739755) has the molecular formula C20H28N2O6S and a molecular weight of 424.52 g/mol. Its IUPAC name is 1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol.

Molecular Properties

Compound Name1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol
PubChem CID86739755
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Name1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol
SMILESCOc1cc(C(O)CS(=O)(=O)CC(O)c2cc(OC)c(N)cc2C)c(C)cc1N
InChIInChI=1S/C20H28N2O6S/c1-11-5-15(21)19(27-3)7-13(11)17(23)9-29(25,26)10-18(24)14-8-20(28-4)16(22)6-12(14)2/h5-8,17-18,23-24H,9-10,21-22H2,1-4H3
InChIKeyGEYOOZSDGPYUED-UHFFFAOYSA-N
XLogP1.67
TPSA145.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol
CID 61080760
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758
1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84782753
2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline
CID 54414311
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763
1-(4-amino-3,5-dimethoxyphenyl)-2-methylsulfonylethanol
CID 54306476
3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170824441
2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol
CID 117440336
3-methylsulfonyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 65148029
1-(4,5-dimethoxy-2-methylphenyl)octane-1,8-diol
CID 166530640
4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride
CID 146675441

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol?
The IUPAC name of 1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol (CID 86739755) is 1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol.
What is the SMILES notation for 1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol?
The canonical SMILES for 1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol is COc1cc(C(O)CS(=O)(=O)CC(O)c2cc(OC)c(N)cc2C)c(C)cc1N.
What is the InChIKey of 1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol?
The InChIKey is GEYOOZSDGPYUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S/c1-11-5-15(21)19(27-3)7-13(11)17(23)9-29(25,26)10-18(24)14-8-20(28-4)16(22)6-12(14)2/h5-8,17-18,23-24H,9-10,21-22H2,1-4H3.
What are the key properties of 1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol?
1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol has a molecular weight of 424.52 g/mol, XLogP of 1.67, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-methoxy-2-methylphenyl)-2-[2-(4-amino-5-methoxy-2-methylphenyl)-2-hydroxyethyl]sulfonylethanol is sourced from PubChem (CID 86739755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).