2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol

C15H13F3O3 — CID 62918071

IUPAC2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol
SMILESOC(COc1ccccc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H13F3O3/c16-15(17,18)21-13-8-4-5-11(9-13)14(19)10-20-12-6-2-1-3-7-12/h1-9,14,19H,10H2
InChIKeyAOIYBYHTAAKUEQ-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.70
Rot. Bonds5

About 2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol

2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol (PubChem CID 62918071) has the molecular formula C15H13F3O3 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol
PubChem CID62918071
Molecular FormulaC15H13F3O3
Molecular Weight298.26 g/mol
Exact Mass298.08
IUPAC Name2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol
SMILESOC(COc1ccccc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H13F3O3/c16-15(17,18)21-13-8-4-5-11(9-13)14(19)10-20-12-6-2-1-3-7-12/h1-9,14,19H,10H2
InChIKeyAOIYBYHTAAKUEQ-UHFFFAOYSA-N
XLogP3.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanal
CID 107105425
3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 103027521
2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918413
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 105096658
2-phenoxy-1-(3-propylphenyl)ethanol
CID 116543555
3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol
CID 107105020
3-chloro-1-[3-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 171862621
3,4-dihydroxy-4-[3-(trifluoromethoxy)phenyl]butanoic acid
CID 171878263
4-chloro-1-[3-(trifluoromethoxy)phenyl]butane-1,2-diol
CID 171894388
2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115766334

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol (CID 62918071) is 2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol is OC(COc1ccccc1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is AOIYBYHTAAKUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O3/c16-15(17,18)21-13-8-4-5-11(9-13)14(19)10-20-12-6-2-1-3-7-12/h1-9,14,19H,10H2.
What are the key properties of 2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol?
2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 298.26 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 62918071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).