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

C12H15F3O2 — CID 105096259

IUPAC3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCOCCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3O2/c1-2-17-8-7-11(16)9-5-3-4-6-10(9)12(13,14)15/h3-6,11,16H,2,7-8H2,1H3
InChIKeyFDEAWYMMQQBNAS-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.17
Rot. Bonds5

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

3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 105096259) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID105096259
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCOCCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3O2/c1-2-17-8-7-11(16)9-5-3-4-6-10(9)12(13,14)15/h3-6,11,16H,2,7-8H2,1H3
InChIKeyFDEAWYMMQQBNAS-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-ethoxy-1-[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-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 103147504
3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 62802306
1-[2-(trifluoromethyl)phenyl]nonan-1-ol
CID 65148219
3-ethoxy-1-(2-methoxyphenyl)propan-1-ol
CID 112688199
1-(2-chlorophenyl)-3-ethoxypropan-1-ol
CID 115601597
(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 96951616
4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102710133
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 105096267
2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol
CID 105476954
1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 55182098
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol (CID 105096259) is 3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol is CCOCCC(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is FDEAWYMMQQBNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-2-17-8-7-11(16)9-5-3-4-6-10(9)12(13,14)15/h3-6,11,16H,2,7-8H2,1H3.
What are the key properties of 3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 248.24 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 105096259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).