1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol

C16H17FO3 — CID 43506272

IUPAC1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol
SMILESCOc1cc(C)ccc1Oc1ccc(F)cc1C(C)O
InChIInChI=1S/C16H17FO3/c1-10-4-6-15(16(8-10)19-3)20-14-7-5-12(17)9-13(14)11(2)18/h4-9,11,18H,1-3H3
InChIKeyJCIWFVHMCQVPFX-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.99
Rot. Bonds4

About 1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol

1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol (PubChem CID 43506272) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol
PubChem CID43506272
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol
SMILESCOc1cc(C)ccc1Oc1ccc(F)cc1C(C)O
InChIInChI=1S/C16H17FO3/c1-10-4-6-15(16(8-10)19-3)20-14-7-5-12(17)9-13(14)11(2)18/h4-9,11,18H,1-3H3
InChIKeyJCIWFVHMCQVPFX-UHFFFAOYSA-N
XLogP3.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanol
CID 63374690
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
CID 55184876
1-[2-fluoro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 43506269
1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol
CID 43506465
(1R)-1-[2-(2,4-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 63372482
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-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 78941429
1-[5-fluoro-2-(2,3,6-trimethylphenoxy)phenyl]ethanol
CID 43506596
(2,4-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61086897

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol (CID 43506272) is 1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol is COc1cc(C)ccc1Oc1ccc(F)cc1C(C)O.
What is the InChIKey of 1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol?
The InChIKey is JCIWFVHMCQVPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-10-4-6-15(16(8-10)19-3)20-14-7-5-12(17)9-13(14)11(2)18/h4-9,11,18H,1-3H3.
What are the key properties of 1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol?
1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol has a molecular weight of 276.31 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol is sourced from PubChem (CID 43506272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).