1-(2,6-dibromophenyl)ethanol

C8H8Br2O — CID 117104086

IUPAC1-(2,6-dibromophenyl)ethanol
SMILESCC(O)c1c(Br)cccc1Br
InChIInChI=1S/C8H8Br2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3
InChIKeyKHWCJWKVYJCFKR-UHFFFAOYSA-N
MW279.96 g/mol
LogP3.26
Rot. Bonds1

About 1-(2,6-dibromophenyl)ethanol

1-(2,6-dibromophenyl)ethanol (PubChem CID 117104086) has the molecular formula C8H8Br2O and a molecular weight of 279.96 g/mol. Its IUPAC name is 1-(2,6-dibromophenyl)ethanol.

Molecular Properties

Compound Name1-(2,6-dibromophenyl)ethanol
PubChem CID117104086
Molecular FormulaC8H8Br2O
Molecular Weight279.96 g/mol
Exact Mass277.89
IUPAC Name1-(2,6-dibromophenyl)ethanol
SMILESCC(O)c1c(Br)cccc1Br
InChIInChI=1S/C8H8Br2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3
InChIKeyKHWCJWKVYJCFKR-UHFFFAOYSA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.96
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
1-(2-bromo-6-ethoxyphenyl)ethanol
CID 133057756
(1R)-1-(2-bromo-6-nitrophenyl)ethanol
CID 125183611
1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol
CID 117113836
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
1-(2,6-dibromophenyl)propane-1,2-diamine
CID 20546210
(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
CID 130636781
1-(2,6-difluorophenyl)ethanol
CID 5012075
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
(1R,2S)-1-amino-1-(2-bromo-6-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171261980
(1R)-1-(2-bromo-6-chlorophenyl)ethanamine
CID 130968340

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dibromophenyl)ethanol?
The IUPAC name of 1-(2,6-dibromophenyl)ethanol (CID 117104086) is 1-(2,6-dibromophenyl)ethanol.
What is the SMILES notation for 1-(2,6-dibromophenyl)ethanol?
The canonical SMILES for 1-(2,6-dibromophenyl)ethanol is CC(O)c1c(Br)cccc1Br.
What is the InChIKey of 1-(2,6-dibromophenyl)ethanol?
The InChIKey is KHWCJWKVYJCFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3.
What are the key properties of 1-(2,6-dibromophenyl)ethanol?
1-(2,6-dibromophenyl)ethanol has a molecular weight of 279.96 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromophenyl)ethanol is sourced from PubChem (CID 117104086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).