(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol

C15H14BrFO2 — CID 83141129

IUPAC(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol
SMILESCc1cc(Oc2ccc(F)cc2[C@H](C)O)ccc1Br
InChIInChI=1S/C15H14BrFO2/c1-9-7-12(4-5-14(9)16)19-15-6-3-11(17)8-13(15)10(2)18/h3-8,10,18H,1-2H3/t10-/m0/s1
InChIKeyWYFYTOANFOJQTL-JTQLQIEISA-N
MW325.18 g/mol
LogP4.74
Rot. Bonds3

About (1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol

(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol (PubChem CID 83141129) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is (1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol
PubChem CID83141129
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol
SMILESCc1cc(Oc2ccc(F)cc2[C@H](C)O)ccc1Br
InChIInChI=1S/C15H14BrFO2/c1-9-7-12(4-5-14(9)16)19-15-6-3-11(17)8-13(15)10(2)18/h3-8,10,18H,1-2H3/t10-/m0/s1
InChIKeyWYFYTOANFOJQTL-JTQLQIEISA-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

1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 83140559
1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol
CID 43506465
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanol
CID 63540649
(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
CID 78941416
(1R)-1-(5-fluoro-2-phenoxyphenyl)ethanol
CID 78941630
(1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 55185417
1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 65201173
(1R)-1-[5-fluoro-2-(3-iodophenoxy)phenyl]ethanol
CID 63372402
1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol
CID 43506596
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 82970379
(1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol
CID 78941855
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 83234967

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol (CID 83141129) is (1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol is Cc1cc(Oc2ccc(F)cc2[C@H](C)O)ccc1Br.
What is the InChIKey of (1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol?
The InChIKey is WYFYTOANFOJQTL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-9-7-12(4-5-14(9)16)19-15-6-3-11(17)8-13(15)10(2)18/h3-8,10,18H,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol?
(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-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 (1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol is sourced from PubChem (CID 83141129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).