1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol

C15H14BrFO2 — CID 107284910

IUPAC1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol
SMILESCc1ccc(Br)cc1Oc1cccc(F)c1C(C)O
InChIInChI=1S/C15H14BrFO2/c1-9-6-7-11(16)8-14(9)19-13-5-3-4-12(17)15(13)10(2)18/h3-8,10,18H,1-2H3
InChIKeyPSXZWQJVUDPPSR-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.74
Rot. Bonds3

About 1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol

1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol (PubChem CID 107284910) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol
PubChem CID107284910
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol
SMILESCc1ccc(Br)cc1Oc1cccc(F)c1C(C)O
InChIInChI=1S/C15H14BrFO2/c1-9-6-7-11(16)8-14(9)19-13-5-3-4-12(17)15(13)10(2)18/h3-8,10,18H,1-2H3
InChIKeyPSXZWQJVUDPPSR-UHFFFAOYSA-N
XLogP4.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol
CID 104940737
(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78941581
1-[2-fluoro-6-(2-methylphenoxy)phenyl]ethanol
CID 43506466
(1S)-1-[2-(3-bromophenoxy)-6-fluorophenyl]ethanol
CID 78941624
(1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 107724964
(1S)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284879
(1R)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284914
1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol
CID 104707954
[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine
CID 107283243
1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 64854056
(1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 79001316
1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
CID 43506537

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol (CID 107284910) is 1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol is Cc1ccc(Br)cc1Oc1cccc(F)c1C(C)O.
What is the InChIKey of 1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol?
The InChIKey is PSXZWQJVUDPPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-9-6-7-11(16)8-14(9)19-13-5-3-4-12(17)15(13)10(2)18/h3-8,10,18H,1-2H3.
What are the key properties of 1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol?
1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol has a molecular weight of 325.18 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol is sourced from PubChem (CID 107284910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).