2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid

C16H23NO8S — CID 158141355

IUPAC2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid
SMILESCOc1ccccc1NCCO.Cc1c(O)cccc1O.O=S(=O)(O)O
InChIInChI=1S/C9H13NO2.C7H8O2.H2O4S/c1-12-9-5-3-2-4-8(9)10-6-7-11;1-5-6(8)3-2-4-7(5)9;1-5(2,3)4/h2-5,10-11H,6-7H2,1H3;2-4,8-9H,1H3;(H2,1,2,3,4)
InChIKeyFTZCOACHQIEXGW-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.85
Rot. Bonds4

About 2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid

2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid (PubChem CID 158141355) has the molecular formula C16H23NO8S and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid.

Molecular Properties

Compound Name2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid
PubChem CID158141355
Molecular FormulaC16H23NO8S
Molecular Weight389.43 g/mol
Exact Mass389.11
IUPAC Name2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid
SMILESCOc1ccccc1NCCO.Cc1c(O)cccc1O.O=S(=O)(O)O
InChIInChI=1S/C9H13NO2.C7H8O2.H2O4S/c1-12-9-5-3-2-4-8(9)10-6-7-11;1-5-6(8)3-2-4-7(5)9;1-5(2,3)4/h2-5,10-11H,6-7H2,1H3;2-4,8-9H,1H3;(H2,1,2,3,4)
InChIKeyFTZCOACHQIEXGW-UHFFFAOYSA-N
XLogP1.85
TPSA156.55 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 51.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid 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

2-(2,3-dimethoxyanilino)ethanol
CID 174734615
N-(3-chloro-2-methylphenyl)-N'-(2-methoxyphenyl)ethane-1,2-diamine
CID 54807762
N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide
CID 110018799
N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
CID 8893151
methanesulfonic acid;2-methoxyphenol
CID 71332079
sodium 6-(2-methoxyanilino)hexane-1-sulfonate
CID 23692010
2-(2-hydroxyethylamino)benzenesulfonic acid
CID 20512895
sodium 3-(2-methoxyanilino)propane-1-sulfonate
CID 23689659
1-chloro-2-(2-methoxyphenyl)hydrazine;sulfuric acid
CID 175005689
N'-(2-methoxyphenyl)butane-1,4-diamine
CID 94254161
tert-butyl 3-(2-methoxyanilino)propanoate
CID 103231727
3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide
CID 70612965

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid?
The IUPAC name of 2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid (CID 158141355) is 2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid.
What is the SMILES notation for 2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid?
The canonical SMILES for 2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid is COc1ccccc1NCCO.Cc1c(O)cccc1O.O=S(=O)(O)O.
What is the InChIKey of 2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid?
The InChIKey is FTZCOACHQIEXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.C7H8O2.H2O4S/c1-12-9-5-3-2-4-8(9)10-6-7-11;1-5-6(8)3-2-4-7(5)9;1-5(2,3)4/h2-5,10-11H,6-7H2,1H3;2-4,8-9H,1H3;(H2,1,2,3,4).
What are the key properties of 2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid?
2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid has a molecular weight of 389.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid is sourced from PubChem (CID 158141355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).