1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol

C14H11BrClFO2 — CID 43506537

IUPAC1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
SMILESCC(O)c1c(F)cccc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C14H11BrClFO2/c1-8(18)14-11(17)3-2-4-13(14)19-12-6-5-9(16)7-10(12)15/h2-8,18H,1H3
InChIKeyMEPGANGNHOMWRN-UHFFFAOYSA-N
MW345.60 g/mol
LogP5.09
Rot. Bonds3

About 1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol

1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol (PubChem CID 43506537) has the molecular formula C14H11BrClFO2 and a molecular weight of 345.60 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
PubChem CID43506537
Molecular FormulaC14H11BrClFO2
Molecular Weight345.60 g/mol
Exact Mass343.96
IUPAC Name1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
SMILESCC(O)c1c(F)cccc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C14H11BrClFO2/c1-8(18)14-11(17)3-2-4-13(14)19-12-6-5-9(16)7-10(12)15/h2-8,18H,1H3
InChIKeyMEPGANGNHOMWRN-UHFFFAOYSA-N
XLogP5.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.60
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol
CID 104707954
(1R)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659058
(1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659074
(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol
CID 78941643
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol
CID 104940737
(1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol
CID 63540335
(1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 55185227
2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline
CID 60789446
(1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78944675
(1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 79001316
1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 64854056
1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol
CID 107284910

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol (CID 43506537) is 1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol is CC(O)c1c(F)cccc1Oc1ccc(Cl)cc1Br.
What is the InChIKey of 1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol?
The InChIKey is MEPGANGNHOMWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO2/c1-8(18)14-11(17)3-2-4-13(14)19-12-6-5-9(16)7-10(12)15/h2-8,18H,1H3.
What are the key properties of 1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol?
1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol has a molecular weight of 345.60 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol is sourced from PubChem (CID 43506537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).