3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol

C17H17F3O2 — CID 117244051

IUPAC3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESCc1ccc(OCC(CO)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H17F3O2/c1-12-6-8-14(9-7-12)22-11-13(10-21)15-4-2-3-5-16(15)17(18,19)20/h2-9,13,21H,10-11H2,1H3
InChIKeyFSPXPIKOGLITTE-UHFFFAOYSA-N
MW310.31 g/mol
LogP4.17
Rot. Bonds5

About 3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol

3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 117244051) has the molecular formula C17H17F3O2 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID117244051
Molecular FormulaC17H17F3O2
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESCc1ccc(OCC(CO)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H17F3O2/c1-12-6-8-14(9-7-12)22-11-13(10-21)15-4-2-3-5-16(15)17(18,19)20/h2-9,13,21H,10-11H2,1H3
InChIKeyFSPXPIKOGLITTE-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-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

3-aminooxy-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105495712
2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol
CID 117244097
2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol
CID 117243108
1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-[2-(trifluoromethyl)phenyl]piperazine
CID 110182019
2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 105145392
2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 117244014
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 117243860
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
2,3-bis(4-methylphenoxy)propan-1-ol
CID 3031029
2-bromo-3-(4-methylphenoxy)propan-1-ol
CID 86054992
1-[1-chloro-2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 63544064

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol (CID 117244051) is 3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol is Cc1ccc(OCC(CO)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is FSPXPIKOGLITTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O2/c1-12-6-8-14(9-7-12)22-11-13(10-21)15-4-2-3-5-16(15)17(18,19)20/h2-9,13,21H,10-11H2,1H3.
What are the key properties of 3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol?
3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 310.31 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117244051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).