1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol

C16H16BrFO2 — CID 83140559

IUPAC1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(Oc2ccc(Br)c(C)c2)c(C(C)O)cc1F
InChIInChI=1S/C16H16BrFO2/c1-9-6-12(4-5-14(9)17)20-16-7-10(2)15(18)8-13(16)11(3)19/h4-8,11,19H,1-3H3
InChIKeyOVBALKHRDYJHOO-UHFFFAOYSA-N
MW339.20 g/mol
LogP5.05
Rot. Bonds3

About 1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol

1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol (PubChem CID 83140559) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol
PubChem CID83140559
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(Oc2ccc(Br)c(C)c2)c(C(C)O)cc1F
InChIInChI=1S/C16H16BrFO2/c1-9-6-12(4-5-14(9)17)20-16-7-10(2)15(18)8-13(16)11(3)19/h4-8,11,19H,1-3H3
InChIKeyOVBALKHRDYJHOO-UHFFFAOYSA-N
XLogP5.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.20
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 83234967
(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol
CID 83141129
(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 104940754
1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 82971113
(1S)-1-[2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 107100172
1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 65201173
1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine
CID 83140639
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 82970379
1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene
CID 107089080
5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 103590913
1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82971254
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol
CID 82971322

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol?
The IUPAC name of 1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol (CID 83140559) is 1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol?
The canonical SMILES for 1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol is Cc1cc(Oc2ccc(Br)c(C)c2)c(C(C)O)cc1F.
What is the InChIKey of 1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol?
The InChIKey is OVBALKHRDYJHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-9-6-12(4-5-14(9)17)20-16-7-10(2)15(18)8-13(16)11(3)19/h4-8,11,19H,1-3H3.
What are the key properties of 1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol?
1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol has a molecular weight of 339.20 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol is sourced from PubChem (CID 83140559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).