1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol

C11H14BrFO2 — CID 114885627

IUPAC1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)c1c(F)cccc1Br
InChIInChI=1S/C11H14BrFO2/c1-7(2)15-6-10(14)11-8(12)4-3-5-9(11)13/h3-5,7,10,14H,6H2,1-2H3
InChIKeyCYKCNYXWOITXQB-UHFFFAOYSA-N
MW277.13 g/mol
LogP3.05
Rot. Bonds4

About 1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol

1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol (PubChem CID 114885627) has the molecular formula C11H14BrFO2 and a molecular weight of 277.13 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol
PubChem CID114885627
Molecular FormulaC11H14BrFO2
Molecular Weight277.13 g/mol
Exact Mass276.02
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)c1c(F)cccc1Br
InChIInChI=1S/C11H14BrFO2/c1-7(2)15-6-10(14)11-8(12)4-3-5-9(11)13/h3-5,7,10,14H,6H2,1-2H3
InChIKeyCYKCNYXWOITXQB-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol
CID 114885640
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 114885678
1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114885662
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
(3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile
CID 131172063
1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol
CID 114885556
(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
CID 130636781
1-(2-bromo-6-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 114885667
1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol
CID 107893072
1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene
CID 91717246

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol (CID 114885627) is 1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol is CC(C)OCC(O)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol?
The InChIKey is CYKCNYXWOITXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO2/c1-7(2)15-6-10(14)11-8(12)4-3-5-9(11)13/h3-5,7,10,14H,6H2,1-2H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol?
1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol has a molecular weight of 277.13 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol is sourced from PubChem (CID 114885627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).