1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol

C16H17FO3 — CID 62336899

IUPAC1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol
SMILESCCOc1cccc(Oc2ccc(C(C)O)cc2F)c1
InChIInChI=1S/C16H17FO3/c1-3-19-13-5-4-6-14(10-13)20-16-8-7-12(11(2)18)9-15(16)17/h4-11,18H,3H2,1-2H3
InChIKeyGTCOWGAHKZFGSQ-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.07
Rot. Bonds5

About 1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol

1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol (PubChem CID 62336899) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol
PubChem CID62336899
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol
SMILESCCOc1cccc(Oc2ccc(C(C)O)cc2F)c1
InChIInChI=1S/C16H17FO3/c1-3-19-13-5-4-6-14(10-13)20-16-8-7-12(11(2)18)9-15(16)17/h4-11,18H,3H2,1-2H3
InChIKeyGTCOWGAHKZFGSQ-UHFFFAOYSA-N
XLogP4.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-4-(3-ethoxyphenoxy)phenyl]ethanol
CID 62911183
(1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol
CID 78941434
(1R)-1-[4-(3-bromophenoxy)-3-fluorophenyl]ethanol
CID 78941612
(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol
CID 107665857
(1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol
CID 107169699
(1R)-1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethanol
CID 78941573
1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506531
(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol
CID 78944719
(1R)-1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]ethanol
CID 107659139
(1S)-1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941700
(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol
CID 97294338
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol?
The IUPAC name of 1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol (CID 62336899) is 1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol is CCOc1cccc(Oc2ccc(C(C)O)cc2F)c1.
What is the InChIKey of 1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol?
The InChIKey is GTCOWGAHKZFGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-3-19-13-5-4-6-14(10-13)20-16-8-7-12(11(2)18)9-15(16)17/h4-11,18H,3H2,1-2H3.
What are the key properties of 1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol?
1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol has a molecular weight of 276.31 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol is sourced from PubChem (CID 62336899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).