2-aminooxy-1-(4-bromophenyl)ethanol

C8H10BrNO2 — CID 82115920

IUPAC2-aminooxy-1-(4-bromophenyl)ethanol
SMILESNOCC(O)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO2/c9-7-3-1-6(2-4-7)8(11)5-12-10/h1-4,8,11H,5,10H2
InChIKeyFBQBUVLBLZDVRE-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.37
Rot. Bonds3

About 2-aminooxy-1-(4-bromophenyl)ethanol

2-aminooxy-1-(4-bromophenyl)ethanol (PubChem CID 82115920) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 2-aminooxy-1-(4-bromophenyl)ethanol.

Molecular Properties

Compound Name2-aminooxy-1-(4-bromophenyl)ethanol
PubChem CID82115920
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name2-aminooxy-1-(4-bromophenyl)ethanol
SMILESNOCC(O)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO2/c9-7-3-1-6(2-4-7)8(11)5-12-10/h1-4,8,11H,5,10H2
InChIKeyFBQBUVLBLZDVRE-UHFFFAOYSA-N
XLogP1.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol
CID 64718642
2-aminooxy-1-(4-cyclohexylphenyl)ethanol
CID 82116649
3-(4-bromophenyl)-3-hydroxypropanamide
CID 11514276
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
3-(4-bromophenyl)-3-hydroxypropanoic acid
CID 11579638
(1R,2R)-1,2-bis(4-bromophenyl)ethane-1,2-diol
CID 11046931
2-aminooxy-1-(1,3-benzodioxol-5-yl)ethanol
CID 82112199
(1R,3R)-3-amino-1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 171237726
3-(4-bromophenyl)-3-hydroxypropanehydrazide
CID 11846937
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
1-(4-bromophenyl)-2-(2-nitrophenoxy)ethanol
CID 110884570

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-1-(4-bromophenyl)ethanol?
The IUPAC name of 2-aminooxy-1-(4-bromophenyl)ethanol (CID 82115920) is 2-aminooxy-1-(4-bromophenyl)ethanol.
What is the SMILES notation for 2-aminooxy-1-(4-bromophenyl)ethanol?
The canonical SMILES for 2-aminooxy-1-(4-bromophenyl)ethanol is NOCC(O)c1ccc(Br)cc1.
What is the InChIKey of 2-aminooxy-1-(4-bromophenyl)ethanol?
The InChIKey is FBQBUVLBLZDVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c9-7-3-1-6(2-4-7)8(11)5-12-10/h1-4,8,11H,5,10H2.
What are the key properties of 2-aminooxy-1-(4-bromophenyl)ethanol?
2-aminooxy-1-(4-bromophenyl)ethanol has a molecular weight of 232.08 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-1-(4-bromophenyl)ethanol is sourced from PubChem (CID 82115920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).