2,2-dichloro-1-(2,5-dibromophenyl)ethanol

C8H6Br2Cl2O — CID 163445311

IUPAC2,2-dichloro-1-(2,5-dibromophenyl)ethanol
SMILESOC(c1cc(Br)ccc1Br)C(Cl)Cl
InChIInChI=1S/C8H6Br2Cl2O/c9-4-1-2-6(10)5(3-4)7(13)8(11)12/h1-3,7-8,13H
InChIKeyBBZXMBJIMPSZIU-UHFFFAOYSA-N
MW348.85 g/mol
LogP4.05
Rot. Bonds2

About 2,2-dichloro-1-(2,5-dibromophenyl)ethanol

2,2-dichloro-1-(2,5-dibromophenyl)ethanol (PubChem CID 163445311) has the molecular formula C8H6Br2Cl2O and a molecular weight of 348.85 g/mol. Its IUPAC name is 2,2-dichloro-1-(2,5-dibromophenyl)ethanol.

Molecular Properties

Compound Name2,2-dichloro-1-(2,5-dibromophenyl)ethanol
PubChem CID163445311
Molecular FormulaC8H6Br2Cl2O
Molecular Weight348.85 g/mol
Exact Mass345.82
IUPAC Name2,2-dichloro-1-(2,5-dibromophenyl)ethanol
SMILESOC(c1cc(Br)ccc1Br)C(Cl)Cl
InChIInChI=1S/C8H6Br2Cl2O/c9-4-1-2-6(10)5(3-4)7(13)8(11)12/h1-3,7-8,13H
InChIKeyBBZXMBJIMPSZIU-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 54.05
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

1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol
CID 164892127
4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile
CID 171902047
1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene
CID 107980813
(2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol
CID 114024842
(2,5-dibromophenyl)-(2,6-dichlorophenyl)methanol
CID 63425825
3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene
CID 63796464
3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol
CID 114376036
(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
CID 63426086
(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
CID 171271433
1-(2,5-dibromophenyl)-3-methylbutan-1-ol
CID 61100587
(2,5-dibromophenyl)-(1-methylcyclopropyl)methanol
CID 130553423
(5-bromofuran-2-yl)-(2,5-dibromophenyl)methanol
CID 61099040

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(2,5-dibromophenyl)ethanol?
The IUPAC name of 2,2-dichloro-1-(2,5-dibromophenyl)ethanol (CID 163445311) is 2,2-dichloro-1-(2,5-dibromophenyl)ethanol.
What is the SMILES notation for 2,2-dichloro-1-(2,5-dibromophenyl)ethanol?
The canonical SMILES for 2,2-dichloro-1-(2,5-dibromophenyl)ethanol is OC(c1cc(Br)ccc1Br)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(2,5-dibromophenyl)ethanol?
The InChIKey is BBZXMBJIMPSZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2Cl2O/c9-4-1-2-6(10)5(3-4)7(13)8(11)12/h1-3,7-8,13H.
What are the key properties of 2,2-dichloro-1-(2,5-dibromophenyl)ethanol?
2,2-dichloro-1-(2,5-dibromophenyl)ethanol has a molecular weight of 348.85 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(2,5-dibromophenyl)ethanol is sourced from PubChem (CID 163445311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).