1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol

C12H15F3O4 — CID 106705176

IUPAC1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol
SMILESCOc1ccc(C(C)O)c(OCOCC(F)(F)F)c1
InChIInChI=1S/C12H15F3O4/c1-8(16)10-4-3-9(17-2)5-11(10)19-7-18-6-12(13,14)15/h3-5,8,16H,6-7H2,1-2H3
InChIKeyIKCFZRJGBKHTGH-UHFFFAOYSA-N
MW280.24 g/mol
LogP2.66
Rot. Bonds6

About 1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol

1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol (PubChem CID 106705176) has the molecular formula C12H15F3O4 and a molecular weight of 280.24 g/mol. Its IUPAC name is 1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol
PubChem CID106705176
Molecular FormulaC12H15F3O4
Molecular Weight280.24 g/mol
Exact Mass280.09
IUPAC Name1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol
SMILESCOc1ccc(C(C)O)c(OCOCC(F)(F)F)c1
InChIInChI=1S/C12H15F3O4/c1-8(16)10-4-3-9(17-2)5-11(10)19-7-18-6-12(13,14)15/h3-5,8,16H,6-7H2,1-2H3
InChIKeyIKCFZRJGBKHTGH-UHFFFAOYSA-N
XLogP2.66
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001163
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
CID 82001346
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol
CID 82850808
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
(1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034207

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol?
The IUPAC name of 1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol (CID 106705176) is 1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol is COc1ccc(C(C)O)c(OCOCC(F)(F)F)c1.
What is the InChIKey of 1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol?
The InChIKey is IKCFZRJGBKHTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O4/c1-8(16)10-4-3-9(17-2)5-11(10)19-7-18-6-12(13,14)15/h3-5,8,16H,6-7H2,1-2H3.
What are the key properties of 1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol?
1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol has a molecular weight of 280.24 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanol is sourced from PubChem (CID 106705176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).