2-(4-bromo-2-chlorophenoxy)ethanol

C8H8BrClO2 — CID 23090761

IUPAC2-(4-bromo-2-chlorophenoxy)ethanol
SMILESOCCOc1ccc(Br)cc1Cl
InChIInChI=1S/C8H8BrClO2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4H2
InChIKeyWRBGEEIETIPMGQ-UHFFFAOYSA-N
MW251.51 g/mol
LogP2.47
Rot. Bonds3

About 2-(4-bromo-2-chlorophenoxy)ethanol

2-(4-bromo-2-chlorophenoxy)ethanol (PubChem CID 23090761) has the molecular formula C8H8BrClO2 and a molecular weight of 251.51 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)ethanol
PubChem CID23090761
Molecular FormulaC8H8BrClO2
Molecular Weight251.51 g/mol
Exact Mass249.94
IUPAC Name2-(4-bromo-2-chlorophenoxy)ethanol
SMILESOCCOc1ccc(Br)cc1Cl
InChIInChI=1S/C8H8BrClO2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4H2
InChIKeyWRBGEEIETIPMGQ-UHFFFAOYSA-N
XLogP2.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-2-chlorophenoxy)butanenitrile
CID 43082909
3-(4-bromo-2-chlorophenoxy)propanimidamide
CID 43114303
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-methylurea
CID 108882470
2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine
CID 6459407
2-(2,4,5-trichlorophenoxy)ethanol
CID 87745106
(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 106933022
2-(4-bromo-2-chlorophenoxy)ethyl-tert-butylazanium
CID 2299633
2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl-propan-2-ylazanium
CID 2297262
(2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol
CID 7375680
4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene
CID 22503230
N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-1-amine
CID 2297485
3-(4-bromo-2-chlorophenoxy)propyl-butylazanium
CID 2297484

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)ethanol?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)ethanol (CID 23090761) is 2-(4-bromo-2-chlorophenoxy)ethanol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)ethanol?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)ethanol is OCCOc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)ethanol?
The InChIKey is WRBGEEIETIPMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4H2.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)ethanol?
2-(4-bromo-2-chlorophenoxy)ethanol has a molecular weight of 251.51 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)ethanol is sourced from PubChem (CID 23090761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).