1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol

C19H21F3O3 — CID 135373025

IUPAC1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol
SMILESCCC(O)COc1ccccc1CCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H21F3O3/c1-2-16(23)13-24-18-9-4-3-7-15(18)11-10-14-6-5-8-17(12-14)25-19(20,21)22/h3-9,12,16,23H,2,10-11,13H2,1H3
InChIKeyFQXAWWMCKLKBIR-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.52
Rot. Bonds8

About 1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol

1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol (PubChem CID 135373025) has the molecular formula C19H21F3O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol
PubChem CID135373025
Molecular FormulaC19H21F3O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol
SMILESCCC(O)COc1ccccc1CCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H21F3O3/c1-2-16(23)13-24-18-9-4-3-7-15(18)11-10-14-6-5-8-17(12-14)25-19(20,21)22/h3-9,12,16,23H,2,10-11,13H2,1H3
InChIKeyFQXAWWMCKLKBIR-UHFFFAOYSA-N
XLogP4.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol 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

(2S)-4-[methyl(trifluoromethyl)amino]-1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol
CID 174994502
(2S)-4-[difluoromethyl(trifluoromethyl)amino]-1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol
CID 174996745
N,N-dimethyl-3-(trifluoromethoxy)-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-1-amine
CID 146438832
(2S)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propane-1,2-diol
CID 134296045
N-methyl-3-(trifluoromethoxy)-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]-N-(trifluoromethyl)butan-1-amine
CID 146438833
(3R)-N-methyl-3-(trifluoromethoxy)-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]-N-(trifluoromethyl)butan-1-amine
CID 135372992
(3R)-N-(difluoromethyl)-N-methyl-3-(trifluoromethoxy)-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-1-amine
CID 135372784
1-[3-(trifluoromethoxy)phenyl]hexan-3-ol
CID 64513226
(2R)-4-(dimethylamino)-1-[2-[2-[3-(fluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol
CID 146423848
1-(trifluoromethoxy)-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]-N,N-bis(trifluoromethyl)butan-1-amine
CID 175806112
1-(fluoromethoxy)-N-methyl-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]-N-(trifluoromethyl)butan-1-amine
CID 175806128
(4R)-4-methoxy-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]-N,N-bis(trifluoromethyl)butan-1-amine
CID 135372687

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol?
The IUPAC name of 1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol (CID 135373025) is 1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol.
What is the SMILES notation for 1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol?
The canonical SMILES for 1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol is CCC(O)COc1ccccc1CCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol?
The InChIKey is FQXAWWMCKLKBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3O3/c1-2-16(23)13-24-18-9-4-3-7-15(18)11-10-14-6-5-8-17(12-14)25-19(20,21)22/h3-9,12,16,23H,2,10-11,13H2,1H3.
What are the key properties of 1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol?
1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol has a molecular weight of 354.37 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol is sourced from PubChem (CID 135373025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).