2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol

C15H12ClF3O2 — CID 66825529

IUPAC2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol
SMILESOCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12ClF3O2/c16-14-6-5-12(9-13(14)15(17,18)19)21-11-3-1-10(2-4-11)7-8-20/h1-6,9,20H,7-8H2
InChIKeyKOGJRWLMIOGPRO-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.69
Rot. Bonds4

About 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol

2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol (PubChem CID 66825529) has the molecular formula C15H12ClF3O2 and a molecular weight of 316.71 g/mol. Its IUPAC name is 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol
PubChem CID66825529
Molecular FormulaC15H12ClF3O2
Molecular Weight316.71 g/mol
Exact Mass316.05
IUPAC Name2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol
SMILESOCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12ClF3O2/c16-14-6-5-12(9-13(14)15(17,18)19)21-11-3-1-10(2-4-11)7-8-20/h1-6,9,20H,7-8H2
InChIKeyKOGJRWLMIOGPRO-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine
CID 86666229
4-[4-(bromomethyl)phenoxy]-1-chloro-2-(trifluoromethyl)benzene
CID 67775976
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]ethanol;ethane
CID 145108455
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-propylphenyl]ethanol
CID 162591563
1-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 67776010
[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol
CID 122695284
2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 71236598
tert-butyl N-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethyl]-N-methylcarbamate
CID 67775169
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
1-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethylamino]pyrimidin-4-one
CID 118481107
4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one
CID 67966666
[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 145108431

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol (CID 66825529) is 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol is OCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol?
The InChIKey is KOGJRWLMIOGPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O2/c16-14-6-5-12(9-13(14)15(17,18)19)21-11-3-1-10(2-4-11)7-8-20/h1-6,9,20H,7-8H2.
What are the key properties of 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol?
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol has a molecular weight of 316.71 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol is sourced from PubChem (CID 66825529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).