(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol

C15H12ClF3O — CID 121456490

IUPAC(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESO[C@@H](Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClF3O/c16-13-6-4-11(5-7-13)14(20)9-10-2-1-3-12(8-10)15(17,18)19/h1-8,14,20H,9H2/t14-/m0/s1
InChIKeyVESFXYHGEVROOH-AWEZNQCLSA-N
MW300.71 g/mol
LogP4.63
Rot. Bonds3

About (1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol

(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 121456490) has the molecular formula C15H12ClF3O and a molecular weight of 300.71 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID121456490
Molecular FormulaC15H12ClF3O
Molecular Weight300.71 g/mol
Exact Mass300.05
IUPAC Name(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESO[C@@H](Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClF3O/c16-13-6-4-11(5-7-13)14(20)9-10-2-1-3-12(8-10)15(17,18)19/h1-8,14,20H,9H2/t14-/m0/s1
InChIKeyVESFXYHGEVROOH-AWEZNQCLSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 115481025
(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696
1-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 63084701
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 65317239
2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 114852064
(2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541246
2-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 60797606
1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene
CID 4737547
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 60797621
2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115766334
1-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 65150144

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol (CID 121456490) is (1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol is O[C@@H](Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is VESFXYHGEVROOH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H12ClF3O/c16-13-6-4-11(5-7-13)14(20)9-10-2-1-3-12(8-10)15(17,18)19/h1-8,14,20H,9H2/t14-/m0/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol?
(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 300.71 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 121456490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).