(1R)-2-bromo-1-(2-chlorophenyl)ethanol

C8H8BrClO — CID 25324199

IUPAC(1R)-2-bromo-1-(2-chlorophenyl)ethanol
SMILESO[C@@H](CBr)c1ccccc1Cl
InChIInChI=1S/C8H8BrClO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,8,11H,5H2/t8-/m0/s1
InChIKeyZASGHPFWAAEKAD-QMMMGPOBSA-N
MW235.51 g/mol
LogP2.77
Rot. Bonds2

About (1R)-2-bromo-1-(2-chlorophenyl)ethanol

(1R)-2-bromo-1-(2-chlorophenyl)ethanol (PubChem CID 25324199) has the molecular formula C8H8BrClO and a molecular weight of 235.51 g/mol. Its IUPAC name is (1R)-2-bromo-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-bromo-1-(2-chlorophenyl)ethanol
PubChem CID25324199
Molecular FormulaC8H8BrClO
Molecular Weight235.51 g/mol
Exact Mass233.94
IUPAC Name(1R)-2-bromo-1-(2-chlorophenyl)ethanol
SMILESO[C@@H](CBr)c1ccccc1Cl
InChIInChI=1S/C8H8BrClO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,8,11H,5H2/t8-/m0/s1
InChIKeyZASGHPFWAAEKAD-QMMMGPOBSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
(1R)-1,2-bis(2-chlorophenyl)ethanol
CID 86310638
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
(1S)-2-bromo-1-(2-fluorophenyl)ethanol
CID 24862084
(1S)-2-bromo-1-(2-propan-2-ylphenyl)ethanol
CID 141407511
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol
CID 66145607
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
1-chloro-4-(2-chlorophenyl)-4-hydroxybutan-2-one
CID 86094254
(1S)-2-bromo-1-(4-chlorophenanthren-9-yl)ethanol
CID 125463756
2-(3-bromophenyl)-1-(2-chlorophenyl)ethanol
CID 61029924
(1S)-1-(2-chlorophenyl)-2-nitroethanol
CID 11550196

Frequently Asked Questions

What is the IUPAC name of (1R)-2-bromo-1-(2-chlorophenyl)ethanol?
The IUPAC name of (1R)-2-bromo-1-(2-chlorophenyl)ethanol (CID 25324199) is (1R)-2-bromo-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for (1R)-2-bromo-1-(2-chlorophenyl)ethanol?
The canonical SMILES for (1R)-2-bromo-1-(2-chlorophenyl)ethanol is O[C@@H](CBr)c1ccccc1Cl.
What is the InChIKey of (1R)-2-bromo-1-(2-chlorophenyl)ethanol?
The InChIKey is ZASGHPFWAAEKAD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H8BrClO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,8,11H,5H2/t8-/m0/s1.
What are the key properties of (1R)-2-bromo-1-(2-chlorophenyl)ethanol?
(1R)-2-bromo-1-(2-chlorophenyl)ethanol has a molecular weight of 235.51 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-bromo-1-(2-chlorophenyl)ethanol is sourced from PubChem (CID 25324199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).