ethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate

C20H21F3O3 — CID 70444859

IUPACethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C(O)(CC)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H21F3O3/c1-3-19(25,16-6-5-7-17(13-16)20(21,22)23)15-10-8-14(9-11-15)12-18(24)26-4-2/h5-11,13,25H,3-4,12H2,1-2H3
InChIKeyOZWXIDADZPOARN-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.46
Rot. Bonds6

About ethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate

ethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate (PubChem CID 70444859) has the molecular formula C20H21F3O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is ethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate
PubChem CID70444859
Molecular FormulaC20H21F3O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Nameethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C(O)(CC)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H21F3O3/c1-3-19(25,16-6-5-7-17(13-16)20(21,22)23)15-10-8-14(9-11-15)12-18(24)26-4-2/h5-11,13,25H,3-4,12H2,1-2H3
InChIKeyOZWXIDADZPOARN-UHFFFAOYSA-N
XLogP4.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate 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

ethyl 3-oxo-4-[3-(trifluoromethyl)phenyl]butanoate
CID 45156320
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 114872417
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
ethyl 2-phenylacetate
CID 7590
ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate
CID 134633121
diethyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 53401794
ethyl 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 12953395
ethyl 2-phenylacetate;hydrate
CID 141257001
1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872344
ethyl 4-[[2-[2-[3-(trifluoromethyl)phenyl]acetyl]oxyacetyl]amino]benzoate
CID 7767527
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
ethyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]-(1,1,1-trifluoropropan-2-yl)amino]acetate
CID 14856859

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate (CID 70444859) is ethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate is CCOC(=O)Cc1ccc(C(O)(CC)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of ethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate?
The InChIKey is OZWXIDADZPOARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3O3/c1-3-19(25,16-6-5-7-17(13-16)20(21,22)23)15-10-8-14(9-11-15)12-18(24)26-4-2/h5-11,13,25H,3-4,12H2,1-2H3.
What are the key properties of ethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate?
ethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate has a molecular weight of 366.38 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate is sourced from PubChem (CID 70444859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).