(1R)-1-(2-bromo-6-nitrophenyl)ethanol

C8H8BrNO3 — CID 125183611

IUPAC(1R)-1-(2-bromo-6-nitrophenyl)ethanol
SMILESC[C@@H](O)c1c(Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H8BrNO3/c1-5(11)8-6(9)3-2-4-7(8)10(12)13/h2-5,11H,1H3/t5-/m1/s1
InChIKeyJYZLFIIFSPITJR-RXMQYKEDSA-N
MW246.06 g/mol
LogP2.41
Rot. Bonds2

About (1R)-1-(2-bromo-6-nitrophenyl)ethanol

(1R)-1-(2-bromo-6-nitrophenyl)ethanol (PubChem CID 125183611) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is (1R)-1-(2-bromo-6-nitrophenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-bromo-6-nitrophenyl)ethanol
PubChem CID125183611
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Name(1R)-1-(2-bromo-6-nitrophenyl)ethanol
SMILESC[C@@H](O)c1c(Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H8BrNO3/c1-5(11)8-6(9)3-2-4-7(8)10(12)13/h2-5,11H,1H3/t5-/m1/s1
InChIKeyJYZLFIIFSPITJR-RXMQYKEDSA-N
XLogP2.41
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-1-(2-bromo-6-nitrophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-2-nitrobenzene;ethane
CID 91072043
1-bromo-2-nitrobenzene
CID 158366116
1-bromo-2-nitrobenzene;propan-2-one
CID 46911798
1-(4-bromo-3-nitrophenyl)ethanol
CID 25170823
1-bromo-2-chloro-3-nitrobenzene
CID 22736053
1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol
CID 61031657
1-(2-bromo-6-nitrophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 115476191
(1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol
CID 81495973
1-(2-bromo-6-nitrophenoxy)butan-2-ol
CID 81499204
2-(2-methyl-6-nitrophenyl)pentan-3-one
CID 115554102
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
2-(2-bromo-6-nitrophenyl)propan-2-amine
CID 164653573

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-6-nitrophenyl)ethanol?
The IUPAC name of (1R)-1-(2-bromo-6-nitrophenyl)ethanol (CID 125183611) is (1R)-1-(2-bromo-6-nitrophenyl)ethanol.
What is the SMILES notation for (1R)-1-(2-bromo-6-nitrophenyl)ethanol?
The canonical SMILES for (1R)-1-(2-bromo-6-nitrophenyl)ethanol is C[C@@H](O)c1c(Br)cccc1[N+](=O)[O-].
What is the InChIKey of (1R)-1-(2-bromo-6-nitrophenyl)ethanol?
The InChIKey is JYZLFIIFSPITJR-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-5(11)8-6(9)3-2-4-7(8)10(12)13/h2-5,11H,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(2-bromo-6-nitrophenyl)ethanol?
(1R)-1-(2-bromo-6-nitrophenyl)ethanol has a molecular weight of 246.06 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-6-nitrophenyl)ethanol is sourced from PubChem (CID 125183611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).