2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol

C16H15F3O3 — CID 117242621

IUPAC2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCOc1ccccc1OCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3O3/c1-21-14-7-2-3-8-15(14)22-10-13(20)11-5-4-6-12(9-11)16(17,18)19/h2-9,13,20H,10H2,1H3
InChIKeyFQWQGLJJFBFPOP-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.83
Rot. Bonds5

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

2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 117242621) has the molecular formula C16H15F3O3 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID117242621
Molecular FormulaC16H15F3O3
Molecular Weight312.29 g/mol
Exact Mass312.10
IUPAC Name2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCOc1ccccc1OCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3O3/c1-21-14-7-2-3-8-15(14)22-10-13(20)11-5-4-6-12(9-11)16(17,18)19/h2-9,13,20H,10H2,1H3
InChIKeyFQWQGLJJFBFPOP-UHFFFAOYSA-N
XLogP3.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115766334
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzene
CID 63542796
2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 117244544
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzene
CID 63543176
1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
CID 110907759
1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 100751248
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60897467
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol
CID 117242661

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 117242621) is 2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol is COc1ccccc1OCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is FQWQGLJJFBFPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O3/c1-21-14-7-2-3-8-15(14)22-10-13(20)11-5-4-6-12(9-11)16(17,18)19/h2-9,13,20H,10H2,1H3.
What are the key properties of 2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 312.29 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 117242621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).