(1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol

C16H16BrFO2 — CID 107724964

IUPAC(1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol
SMILESCc1cc(Oc2cccc(F)c2[C@@H](C)O)cc(C)c1Br
InChIInChI=1S/C16H16BrFO2/c1-9-7-12(8-10(2)16(9)17)20-14-6-4-5-13(18)15(14)11(3)19/h4-8,11,19H,1-3H3/t11-/m1/s1
InChIKeyWINOTQPURBVYCX-LLVKDONJSA-N
MW339.20 g/mol
LogP5.05
Rot. Bonds3

About (1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol

(1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol (PubChem CID 107724964) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is (1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol
PubChem CID107724964
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name(1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol
SMILESCc1cc(Oc2cccc(F)c2[C@@H](C)O)cc(C)c1Br
InChIInChI=1S/C16H16BrFO2/c1-9-7-12(8-10(2)16(9)17)20-14-6-4-5-13(18)15(14)11(3)19/h4-8,11,19H,1-3H3/t11-/m1/s1
InChIKeyWINOTQPURBVYCX-LLVKDONJSA-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

Analyze (1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol with MolForge

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Related Compounds

(1S)-1-[2-(3-bromophenoxy)-6-fluorophenyl]ethanol
CID 78941624
1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol
CID 107284910
1-[2-fluoro-6-(4-fluorophenoxy)phenyl]ethanol
CID 43506471
1-[2-fluoro-6-(2-methylphenoxy)phenyl]ethanol
CID 43506466
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 107724988
(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol
CID 78941643
(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78941581
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol
CID 104940737
1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol
CID 104707954
(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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol (CID 107724964) is (1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol is Cc1cc(Oc2cccc(F)c2[C@@H](C)O)cc(C)c1Br.
What is the InChIKey of (1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol?
The InChIKey is WINOTQPURBVYCX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-9-7-12(8-10(2)16(9)17)20-14-6-4-5-13(18)15(14)11(3)19/h4-8,11,19H,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol?
(1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]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 (1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol is sourced from PubChem (CID 107724964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).