1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol

C17H19FO2 — CID 43506596

IUPAC1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol
SMILESCc1ccc(C)c(Oc2ccc(F)cc2C(C)O)c1C
InChIInChI=1S/C17H19FO2/c1-10-5-6-11(2)17(12(10)3)20-16-8-7-14(18)9-15(16)13(4)19/h5-9,13,19H,1-4H3
InChIKeyAKIXXLYRWQPISS-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.60
Rot. Bonds3

About 1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol

1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol (PubChem CID 43506596) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol
PubChem CID43506596
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol
SMILESCc1ccc(C)c(Oc2ccc(F)cc2C(C)O)c1C
InChIInChI=1S/C17H19FO2/c1-10-5-6-11(2)17(12(10)3)20-16-8-7-14(18)9-15(16)13(4)19/h5-9,13,19H,1-4H3
InChIKeyAKIXXLYRWQPISS-UHFFFAOYSA-N
XLogP4.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanol
CID 63540649
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
CID 55184876
(1R)-1-(5-fluoro-2-phenoxyphenyl)ethanol
CID 78941630
(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol
CID 83141129
1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol
CID 43506465
(1R)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanol
CID 63374690
(1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 55183586
1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 43506272
(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
CID 78941416
(1R)-1-[2-(2,4-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 63372482
1-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol
CID 61031418

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol (CID 43506596) is 1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol is Cc1ccc(C)c(Oc2ccc(F)cc2C(C)O)c1C.
What is the InChIKey of 1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol?
The InChIKey is AKIXXLYRWQPISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-10-5-6-11(2)17(12(10)3)20-16-8-7-14(18)9-15(16)13(4)19/h5-9,13,19H,1-4H3.
What are the key properties of 1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol?
1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol has a molecular weight of 274.34 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol is sourced from PubChem (CID 43506596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).