2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol

C8H11NO3 — CID 54487924

IUPAC2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol
SMILESNC[C@H](O)c1cc(O)ccc1O
InChIInChI=1S/C8H11NO3/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,8,10-12H,4,9H2/t8-/m0/s1
InChIKeyXTRDIGJLHVTHGE-QMMMGPOBSA-N
MW169.18 g/mol
LogP0.09
Rot. Bonds2

About 2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol

2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol (PubChem CID 54487924) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol
PubChem CID54487924
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol
SMILESNC[C@H](O)c1cc(O)ccc1O
InChIInChI=1S/C8H11NO3/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,8,10-12H,4,9H2/t8-/m0/s1
InChIKeyXTRDIGJLHVTHGE-QMMMGPOBSA-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

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol
CID 130034047
2-(1-hydroxy-3-methylbut-3-enyl)benzene-1,4-diol
CID 130034598
2-(2-amino-1-hydroxyethyl)-4-(1-fluoroethyl)phenol
CID 84668851
2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol
CID 117320726
2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol
CID 117320731
2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol
CID 171201118
2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde
CID 82408568
2-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,4-diol
CID 131036322
2-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,4-diol
CID 130731355
2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol
CID 10611352
2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol
CID 56611171

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol?
The IUPAC name of 2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol (CID 54487924) is 2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol?
The canonical SMILES for 2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol is NC[C@H](O)c1cc(O)ccc1O.
What is the InChIKey of 2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol?
The InChIKey is XTRDIGJLHVTHGE-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11NO3/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,8,10-12H,4,9H2/t8-/m0/s1.
What are the key properties of 2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol?
2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-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 2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol is sourced from PubChem (CID 54487924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).