2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol

C15H13F3O2 — CID 11778513

IUPAC2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
SMILESCOc1ccccc1C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H13F3O2/c1-20-13-10-6-5-9-12(13)14(19,15(16,17)18)11-7-3-2-4-8-11/h2-10,19H,1H3
InChIKeyDERXAGRGHNAXOY-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.49
Rot. Bonds3

About 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol

2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol (PubChem CID 11778513) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
PubChem CID11778513
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
SMILESCOc1ccccc1C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H13F3O2/c1-20-13-10-6-5-9-12(13)14(19,15(16,17)18)11-7-3-2-4-8-11/h2-10,19H,1H3
InChIKeyDERXAGRGHNAXOY-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol
CID 162511614
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
2-methoxy-1-(2-methoxyphenyl)-1-phenylethanol
CID 103465436
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
3-(2-methoxyphenyl)penta-1,4-diyn-3-ol
CID 11056360
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol
CID 132965988
1-(4-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 60793238
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
1-(4-tert-butylphenyl)-1-(2-methoxyphenyl)ethanol
CID 62549935
3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol
CID 15466235
2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline
CID 74337625

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol (CID 11778513) is 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol is COc1ccccc1C(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol?
The InChIKey is DERXAGRGHNAXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-20-13-10-6-5-9-12(13)14(19,15(16,17)18)11-7-3-2-4-8-11/h2-10,19H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol?
2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol has a molecular weight of 282.26 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol is sourced from PubChem (CID 11778513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).