2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol

C15H11Cl2F3O — CID 65317239

IUPAC2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11Cl2F3O/c16-12-4-5-13(17)10(7-12)8-14(21)9-2-1-3-11(6-9)15(18,19)20/h1-7,14,21H,8H2
InChIKeyMUUYSKMCDKESSS-UHFFFAOYSA-N
MW335.15 g/mol
LogP5.29
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol

2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 65317239) has the molecular formula C15H11Cl2F3O and a molecular weight of 335.15 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID65317239
Molecular FormulaC15H11Cl2F3O
Molecular Weight335.15 g/mol
Exact Mass334.01
IUPAC Name2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11Cl2F3O/c16-12-4-5-13(17)10(7-12)8-14(21)9-2-1-3-11(6-9)15(18,19)20/h1-7,14,21H,8H2
InChIKeyMUUYSKMCDKESSS-UHFFFAOYSA-N
XLogP5.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.15
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 114852064
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 65316618
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 65316811
(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 121456490
2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol
CID 65317190
2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115766334
1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115566546
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
2-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanol
CID 65316953
2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol
CID 115802046
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 65317239) is 2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol is OC(Cc1cc(Cl)ccc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is MUUYSKMCDKESSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3O/c16-12-4-5-13(17)10(7-12)8-14(21)9-2-1-3-11(6-9)15(18,19)20/h1-7,14,21H,8H2.
What are the key properties of 2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 335.15 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 65317239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).