(1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol

C15H14F2O2 — CID 79001316

IUPAC(1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
SMILESCc1ccc(F)c(Oc2cccc(F)c2[C@H](C)O)c1
InChIInChI=1S/C15H14F2O2/c1-9-6-7-11(16)14(8-9)19-13-5-3-4-12(17)15(13)10(2)18/h3-8,10,18H,1-2H3/t10-/m0/s1
InChIKeyJWHSSPJWTKFOHR-JTQLQIEISA-N
MW264.27 g/mol
LogP4.12
Rot. Bonds3

About (1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol

(1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol (PubChem CID 79001316) has the molecular formula C15H14F2O2 and a molecular weight of 264.27 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
PubChem CID79001316
Molecular FormulaC15H14F2O2
Molecular Weight264.27 g/mol
Exact Mass264.10
IUPAC Name(1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
SMILESCc1ccc(F)c(Oc2cccc(F)c2[C@H](C)O)c1
InChIInChI=1S/C15H14F2O2/c1-9-6-7-11(16)14(8-9)19-13-5-3-4-12(17)15(13)10(2)18/h3-8,10,18H,1-2H3/t10-/m0/s1
InChIKeyJWHSSPJWTKFOHR-JTQLQIEISA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 64854056
(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78941581
1-[2-fluoro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 43506269
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol
CID 104940737
1-[2-fluoro-6-(2-methylphenoxy)phenyl]ethanol
CID 43506466
1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol
CID 61312027
(1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol
CID 63540335
(1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78944675
1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
CID 43506537
1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol
CID 107284910
1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506529
(1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941712

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol (CID 79001316) is (1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol is Cc1ccc(F)c(Oc2cccc(F)c2[C@H](C)O)c1.
What is the InChIKey of (1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol?
The InChIKey is JWHSSPJWTKFOHR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14F2O2/c1-9-6-7-11(16)14(8-9)19-13-5-3-4-12(17)15(13)10(2)18/h3-8,10,18H,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol?
(1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol has a molecular weight of 264.27 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol is sourced from PubChem (CID 79001316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).