2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol

C13H17F3O5 — CID 103210091

IUPAC2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol
SMILESCOc1cc(OC)c(C(O)COCC(F)(F)F)c(OC)c1
InChIInChI=1S/C13H17F3O5/c1-18-8-4-10(19-2)12(11(5-8)20-3)9(17)6-21-7-13(14,15)16/h4-5,9,17H,6-7H2,1-3H3
InChIKeyYHBHGFFDNIPQLO-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.32
Rot. Bonds7

About 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol

2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol (PubChem CID 103210091) has the molecular formula C13H17F3O5 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol
PubChem CID103210091
Molecular FormulaC13H17F3O5
Molecular Weight310.27 g/mol
Exact Mass310.10
IUPAC Name2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol
SMILESCOc1cc(OC)c(C(O)COCC(F)(F)F)c(OC)c1
InChIInChI=1S/C13H17F3O5/c1-18-8-4-10(19-2)12(11(5-8)20-3)9(17)6-21-7-13(14,15)16/h4-5,9,17H,6-7H2,1-3H3
InChIKeyYHBHGFFDNIPQLO-UHFFFAOYSA-N
XLogP2.32
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol with MolForge

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Related Compounds

(1S,3S)-3-amino-4,4,4-trifluoro-1-(2,4,6-trimethoxyphenyl)butan-1-ol
CID 171237284
(1R,3R)-3-amino-4,4,4-trifluoro-1-(2,4,6-trimethoxyphenyl)butan-1-ol;hydrochloride
CID 171237897
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)propan-1-ol
CID 82758458
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 106680156
1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16790008
2-[(1S)-1-amino-4,4,4-trifluorobutyl]-3,5-dimethoxyphenol
CID 171226671
1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol
CID 106705176
1-(3,5-dimethoxyphenoxy)-4,4,4-trifluorobutan-2-ol
CID 166218971
(1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride
CID 171239954
(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol
CID 162372103
2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol
CID 116863258
2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
CID 171226643

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol (CID 103210091) is 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol is COc1cc(OC)c(C(O)COCC(F)(F)F)c(OC)c1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol?
The InChIKey is YHBHGFFDNIPQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O5/c1-18-8-4-10(19-2)12(11(5-8)20-3)9(17)6-21-7-13(14,15)16/h4-5,9,17H,6-7H2,1-3H3.
What are the key properties of 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol?
2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol has a molecular weight of 310.27 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol is sourced from PubChem (CID 103210091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).