5-(2-amino-1-hydroxyethyl)benzene-1,3-diol

C8H11NO3 — CID 12534519

IUPAC5-(2-amino-1-hydroxyethyl)benzene-1,3-diol
SMILESNCC(O)c1cc(O)cc(O)c1
InChIInChI=1S/C8H11NO3/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3,8,10-12H,4,9H2
InChIKeyVZVBXISLBQEWKU-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.09
Rot. Bonds2

About 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol

5-(2-amino-1-hydroxyethyl)benzene-1,3-diol (PubChem CID 12534519) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(2-amino-1-hydroxyethyl)benzene-1,3-diol
PubChem CID12534519
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name5-(2-amino-1-hydroxyethyl)benzene-1,3-diol
SMILESNCC(O)c1cc(O)cc(O)c1
InChIInChI=1S/C8H11NO3/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3,8,10-12H,4,9H2
InChIKeyVZVBXISLBQEWKU-UHFFFAOYSA-N
XLogP0.09
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol?
The IUPAC name of 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol (CID 12534519) is 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol.
What is the SMILES notation for 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol?
The canonical SMILES for 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol is NCC(O)c1cc(O)cc(O)c1.
What is the InChIKey of 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol?
The InChIKey is VZVBXISLBQEWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3,8,10-12H,4,9H2.
What are the key properties of 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol?
5-(2-amino-1-hydroxyethyl)benzene-1,3-diol has a molecular weight of 169.18 g/mol, XLogP of 0.09, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-hydroxyethyl)benzene-1,3-diol is sourced from PubChem (CID 12534519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).