(1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol

C22H19F3O2 — CID 12060228

IUPAC(1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
SMILESO[C@H](c1ccccc1)[C@H](OCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C22H19F3O2/c23-22(24,25)19-13-11-16(12-14-19)15-27-21(18-9-5-2-6-10-18)20(26)17-7-3-1-4-8-17/h1-14,20-21,26H,15H2/t20-,21-/m1/s1
InChIKeyYWXFAWFOWRUBMT-NHCUHLMSSA-N
MW372.39 g/mol
LogP5.70
Rot. Bonds6

About (1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol

(1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol (PubChem CID 12060228) has the molecular formula C22H19F3O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is (1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol.

Molecular Properties

Compound Name(1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
PubChem CID12060228
Molecular FormulaC22H19F3O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name(1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
SMILESO[C@H](c1ccccc1)[C@H](OCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C22H19F3O2/c23-22(24,25)19-13-11-16(12-14-19)15-27-21(18-9-5-2-6-10-18)20(26)17-7-3-1-4-8-17/h1-14,20-21,26H,15H2/t20-,21-/m1/s1
InChIKeyYWXFAWFOWRUBMT-NHCUHLMSSA-N
XLogP5.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol
CID 15981856
(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 162576270
[(1R,2R)-2-hydroxy-1,2-diphenylethyl] 4-(trifluoromethyl)benzoate
CID 12002871
(2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine
CID 130253876
2-ethoxy-1,2-diphenylethanol
CID 3767197
2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol
CID 142936430
2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid
CID 139665547
(3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol
CID 134864557
(2S)-1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
CID 2116069
methyl 4-[[[2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethyl]amino]methyl]benzoate
CID 138489249
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone
CID 53254076
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol?
The IUPAC name of (1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol (CID 12060228) is (1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol.
What is the SMILES notation for (1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol?
The canonical SMILES for (1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol is O[C@H](c1ccccc1)[C@H](OCc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of (1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol?
The InChIKey is YWXFAWFOWRUBMT-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H19F3O2/c23-22(24,25)19-13-11-16(12-14-19)15-27-21(18-9-5-2-6-10-18)20(26)17-7-3-1-4-8-17/h1-14,20-21,26H,15H2/t20-,21-/m1/s1.
What are the key properties of (1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol?
(1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol has a molecular weight of 372.39 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol is sourced from PubChem (CID 12060228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).