3-(2-hydroxyethylamino)benzene-1,2-diol

C8H11NO3 — CID 70502073

IUPAC3-(2-hydroxyethylamino)benzene-1,2-diol
SMILESOCCNc1cccc(O)c1O
InChIInChI=1S/C8H11NO3/c10-5-4-9-6-2-1-3-7(11)8(6)12/h1-3,9-12H,4-5H2
InChIKeyPHNCLXQBVCCPKG-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.50
Rot. Bonds3

About 3-(2-hydroxyethylamino)benzene-1,2-diol

3-(2-hydroxyethylamino)benzene-1,2-diol (PubChem CID 70502073) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)benzene-1,2-diol.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)benzene-1,2-diol
PubChem CID70502073
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-(2-hydroxyethylamino)benzene-1,2-diol
SMILESOCCNc1cccc(O)c1O
InChIInChI=1S/C8H11NO3/c10-5-4-9-6-2-1-3-7(11)8(6)12/h1-3,9-12H,4-5H2
InChIKeyPHNCLXQBVCCPKG-UHFFFAOYSA-N
XLogP0.50
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)benzene-1,2-diol?
The IUPAC name of 3-(2-hydroxyethylamino)benzene-1,2-diol (CID 70502073) is 3-(2-hydroxyethylamino)benzene-1,2-diol.
What is the SMILES notation for 3-(2-hydroxyethylamino)benzene-1,2-diol?
The canonical SMILES for 3-(2-hydroxyethylamino)benzene-1,2-diol is OCCNc1cccc(O)c1O.
What is the InChIKey of 3-(2-hydroxyethylamino)benzene-1,2-diol?
The InChIKey is PHNCLXQBVCCPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-5-4-9-6-2-1-3-7(11)8(6)12/h1-3,9-12H,4-5H2.
What are the key properties of 3-(2-hydroxyethylamino)benzene-1,2-diol?
3-(2-hydroxyethylamino)benzene-1,2-diol has a molecular weight of 169.18 g/mol, XLogP of 0.50, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)benzene-1,2-diol is sourced from PubChem (CID 70502073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).