1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol

C18H19F3O5 — CID 123389695

IUPAC1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol
SMILESCOc1ccc(C(O)COc2ccc(C)cc2OC(F)(F)F)cc1OC
InChIInChI=1S/C18H19F3O5/c1-11-4-6-15(17(8-11)26-18(19,20)21)25-10-13(22)12-5-7-14(23-2)16(9-12)24-3/h4-9,13,22H,10H2,1-3H3
InChIKeyNBRBZWVOFCPYTB-UHFFFAOYSA-N
MW372.34 g/mol
LogP4.02
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol

1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol (PubChem CID 123389695) has the molecular formula C18H19F3O5 and a molecular weight of 372.34 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol
PubChem CID123389695
Molecular FormulaC18H19F3O5
Molecular Weight372.34 g/mol
Exact Mass372.12
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol
SMILESCOc1ccc(C(O)COc2ccc(C)cc2OC(F)(F)F)cc1OC
InChIInChI=1S/C18H19F3O5/c1-11-4-6-15(17(8-11)26-18(19,20)21)25-10-13(22)12-5-7-14(23-2)16(9-12)24-3/h4-9,13,22H,10H2,1-3H3
InChIKeyNBRBZWVOFCPYTB-UHFFFAOYSA-N
XLogP4.02
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 109414138
1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 62265588
(1R,3R)-3-amino-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237871
(1S,3R)-3-amino-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237565
2-(2-methoxy-4-methylphenoxy)-1-(3-nitrophenyl)ethanol
CID 109414141
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347
1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol
CID 83952575
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 117242621
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol (CID 123389695) is 1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol is COc1ccc(C(O)COc2ccc(C)cc2OC(F)(F)F)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol?
The InChIKey is NBRBZWVOFCPYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3O5/c1-11-4-6-15(17(8-11)26-18(19,20)21)25-10-13(22)12-5-7-14(23-2)16(9-12)24-3/h4-9,13,22H,10H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol?
1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol has a molecular weight of 372.34 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol is sourced from PubChem (CID 123389695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).