2-bromo-2-(3-chlorophenyl)ethanol

C8H8BrClO — CID 22121388

IUPAC2-bromo-2-(3-chlorophenyl)ethanol
SMILESOCC(Br)c1cccc(Cl)c1
InChIInChI=1S/C8H8BrClO/c9-8(5-11)6-2-1-3-7(10)4-6/h1-4,8,11H,5H2
InChIKeyUXABEQMMEVQKJA-UHFFFAOYSA-N
MW235.51 g/mol
LogP2.77
Rot. Bonds2

About 2-bromo-2-(3-chlorophenyl)ethanol

2-bromo-2-(3-chlorophenyl)ethanol (PubChem CID 22121388) has the molecular formula C8H8BrClO and a molecular weight of 235.51 g/mol. Its IUPAC name is 2-bromo-2-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-bromo-2-(3-chlorophenyl)ethanol
PubChem CID22121388
Molecular FormulaC8H8BrClO
Molecular Weight235.51 g/mol
Exact Mass233.94
IUPAC Name2-bromo-2-(3-chlorophenyl)ethanol
SMILESOCC(Br)c1cccc(Cl)c1
InChIInChI=1S/C8H8BrClO/c9-8(5-11)6-2-1-3-7(10)4-6/h1-4,8,11H,5H2
InChIKeyUXABEQMMEVQKJA-UHFFFAOYSA-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'}

Analyze 2-bromo-2-(3-chlorophenyl)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-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene
CID 63543130
(3-chlorophenyl)methanediol
CID 20679602
1-chloro-3-(1,2,3-tribromopropyl)benzene
CID 151882586
1-bromo-1-(3-chlorophenyl)propan-2-ol
CID 150342170
(2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol
CID 165131162
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
(3-chlorophenyl)-fluoromethanol
CID 70239224
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587
1-[2-bromo-2-(3-chlorophenyl)ethyl]-2-nitrobenzene
CID 63542749

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(3-chlorophenyl)ethanol?
The IUPAC name of 2-bromo-2-(3-chlorophenyl)ethanol (CID 22121388) is 2-bromo-2-(3-chlorophenyl)ethanol.
What is the SMILES notation for 2-bromo-2-(3-chlorophenyl)ethanol?
The canonical SMILES for 2-bromo-2-(3-chlorophenyl)ethanol is OCC(Br)c1cccc(Cl)c1.
What is the InChIKey of 2-bromo-2-(3-chlorophenyl)ethanol?
The InChIKey is UXABEQMMEVQKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO/c9-8(5-11)6-2-1-3-7(10)4-6/h1-4,8,11H,5H2.
What are the key properties of 2-bromo-2-(3-chlorophenyl)ethanol?
2-bromo-2-(3-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 2-bromo-2-(3-chlorophenyl)ethanol is sourced from PubChem (CID 22121388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).