2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol

C16H16F2O4 — CID 109416014

IUPAC2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)COc2c(F)cccc2OC)cc1F
InChIInChI=1S/C16H16F2O4/c1-20-14-7-6-10(8-12(14)18)13(19)9-22-16-11(17)4-3-5-15(16)21-2/h3-8,13,19H,9H2,1-2H3
InChIKeySKVDVLIYOOJQSR-UHFFFAOYSA-N
MW310.30 g/mol
LogP3.09
Rot. Bonds6

About 2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol

2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 109416014) has the molecular formula C16H16F2O4 and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID109416014
Molecular FormulaC16H16F2O4
Molecular Weight310.30 g/mol
Exact Mass310.10
IUPAC Name2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)COc2c(F)cccc2OC)cc1F
InChIInChI=1S/C16H16F2O4/c1-20-14-7-6-10(8-12(14)18)13(19)9-22-16-11(17)4-3-5-15(16)21-2/h3-8,13,19H,9H2,1-2H3
InChIKeySKVDVLIYOOJQSR-UHFFFAOYSA-N
XLogP3.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol
CID 109416021
1-(2-bromophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol
CID 109416024
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61082269
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147
1-(3-fluoro-4-methoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65134806
1-(3-fluoro-4-methoxyphenyl)pentane-1,5-diol
CID 112509946
(1R,3R)-3-amino-4,4,4-trifluoro-1-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 171237844
3-[2-(3-fluoro-4-methoxyphenyl)-2-hydroxyethoxy]-4-methylbenzonitrile
CID 109416668
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 112510192
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65130437

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol (CID 109416014) is 2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol is COc1ccc(C(O)COc2c(F)cccc2OC)cc1F.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is SKVDVLIYOOJQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O4/c1-20-14-7-6-10(8-12(14)18)13(19)9-22-16-11(17)4-3-5-15(16)21-2/h3-8,13,19H,9H2,1-2H3.
What are the key properties of 2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol?
2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 310.30 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methoxyphenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 109416014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).