(1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol

C21H23F3O — CID 67344023

IUPAC(1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
SMILESO[C@@H](CC1CCCCC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H23F3O/c22-21(23,24)19-12-10-17(11-13-19)16-6-8-18(9-7-16)20(25)14-15-4-2-1-3-5-15/h6-13,15,20,25H,1-5,14H2/t20-/m0/s1
InChIKeyLJCMRIPHWNZESN-FQEVSTJZSA-N
MW348.41 g/mol
LogP6.38
Rot. Bonds4

About (1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol

(1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol (PubChem CID 67344023) has the molecular formula C21H23F3O and a molecular weight of 348.41 g/mol. Its IUPAC name is (1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
PubChem CID67344023
Molecular FormulaC21H23F3O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
SMILESO[C@@H](CC1CCCCC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H23F3O/c22-21(23,24)19-12-10-17(11-13-19)16-6-8-18(9-7-16)20(25)14-15-4-2-1-3-5-15/h6-13,15,20,25H,1-5,14H2/t20-/m0/s1
InChIKeyLJCMRIPHWNZESN-FQEVSTJZSA-N
XLogP6.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclooctyl-[4-(trifluoromethyl)phenyl]methanol
CID 80603410
1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 63520008
(2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 67484387
2-cyclohexyl-1-pyridin-4-ylethanol
CID 62606485
2-cyclopentyl-1-[4-(difluoromethyl)phenyl]ethanol
CID 115525070
2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 67981332
2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351165
2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60901206
cyclobutyl-[4-(trifluoromethyl)phenyl]methanol
CID 64986363
1-(4-aminophenyl)-2-cyclopentylethanol
CID 106695429
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62791649
2-cyclopentyl-1-phenylethanol
CID 15629098

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
The IUPAC name of (1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol (CID 67344023) is (1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol.
What is the SMILES notation for (1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
The canonical SMILES for (1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol is O[C@@H](CC1CCCCC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
The InChIKey is LJCMRIPHWNZESN-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23F3O/c22-21(23,24)19-12-10-17(11-13-19)16-6-8-18(9-7-16)20(25)14-15-4-2-1-3-5-15/h6-13,15,20,25H,1-5,14H2/t20-/m0/s1.
What are the key properties of (1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
(1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol has a molecular weight of 348.41 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol is sourced from PubChem (CID 67344023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).