2-(2-hydroxyethylamino)phenol;sulfuric acid

C8H13NO6S — CID 6451954

IUPAC2-(2-hydroxyethylamino)phenol;sulfuric acid
SMILESO=S(=O)(O)O.OCCNc1ccccc1O
InChIInChI=1S/C8H11NO2.H2O4S/c10-6-5-9-7-3-1-2-4-8(7)11;1-5(2,3)4/h1-4,9-11H,5-6H2;(H2,1,2,3,4)
InChIKeyLBORBJWFQPAQGB-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.14
Rot. Bonds3

About 2-(2-hydroxyethylamino)phenol;sulfuric acid

2-(2-hydroxyethylamino)phenol;sulfuric acid (PubChem CID 6451954) has the molecular formula C8H13NO6S and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)phenol;sulfuric acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)phenol;sulfuric acid
PubChem CID6451954
Molecular FormulaC8H13NO6S
Molecular Weight251.26 g/mol
Exact Mass251.05
IUPAC Name2-(2-hydroxyethylamino)phenol;sulfuric acid
SMILESO=S(=O)(O)O.OCCNc1ccccc1O
InChIInChI=1S/C8H11NO2.H2O4S/c10-6-5-9-7-3-1-2-4-8(7)11;1-5(2,3)4/h1-4,9-11H,5-6H2;(H2,1,2,3,4)
InChIKeyLBORBJWFQPAQGB-UHFFFAOYSA-N
XLogP0.14
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethylamino)phenol;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

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)phenol;sulfuric acid?
The IUPAC name of 2-(2-hydroxyethylamino)phenol;sulfuric acid (CID 6451954) is 2-(2-hydroxyethylamino)phenol;sulfuric acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)phenol;sulfuric acid?
The canonical SMILES for 2-(2-hydroxyethylamino)phenol;sulfuric acid is O=S(=O)(O)O.OCCNc1ccccc1O.
What is the InChIKey of 2-(2-hydroxyethylamino)phenol;sulfuric acid?
The InChIKey is LBORBJWFQPAQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.H2O4S/c10-6-5-9-7-3-1-2-4-8(7)11;1-5(2,3)4/h1-4,9-11H,5-6H2;(H2,1,2,3,4).
What are the key properties of 2-(2-hydroxyethylamino)phenol;sulfuric acid?
2-(2-hydroxyethylamino)phenol;sulfuric acid has a molecular weight of 251.26 g/mol, XLogP of 0.14, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)phenol;sulfuric acid is sourced from PubChem (CID 6451954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).