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

C15H12ClF3O2 — CID 115766334

IUPAC2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(COc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3O2/c16-12-4-6-13(7-5-12)21-9-14(20)10-2-1-3-11(8-10)15(17,18)19/h1-8,14,20H,9H2
InChIKeyFZJNRLMKMWUKNN-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.47
Rot. Bonds4

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

2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 115766334) has the molecular formula C15H12ClF3O2 and a molecular weight of 316.71 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID115766334
Molecular FormulaC15H12ClF3O2
Molecular Weight316.71 g/mol
Exact Mass316.05
IUPAC Name2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(COc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3O2/c16-12-4-6-13(7-5-12)21-9-14(20)10-2-1-3-11(8-10)15(17,18)19/h1-8,14,20H,9H2
InChIKeyFZJNRLMKMWUKNN-UHFFFAOYSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 117242621
2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 114852064
2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 65317239
1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol
CID 117244595
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 105091612
(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 121456490
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918071
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 111434796

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 115766334) is 2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol is OC(COc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is FZJNRLMKMWUKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O2/c16-12-4-6-13(7-5-12)21-9-14(20)10-2-1-3-11(8-10)15(17,18)19/h1-8,14,20H,9H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 316.71 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 115766334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).