ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl 3-ethoxy-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoate

C38H44F3NO8S — CID 157267984

About ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl 3-ethoxy-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoate

ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl 3-ethoxy-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoate (PubChem CID 157267984) has the molecular formula C38H44F3NO8S and a molecular weight of 731.83 g/mol. Its IUPAC name is ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl 3-ethoxy-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoate.

Molecular Properties

• Compound Name: ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl 3-ethoxy-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoate
• PubChem CID: 157267984
• Molecular Formula: C38H44F3NO8S
• Molecular Weight: 731.83 g/mol
• Exact Mass: 731.27
• IUPAC Name: ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl 3-ethoxy-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoate
• SMILES: CCOC(=O)CC(OCC)c1ccc(O)cc1.CCOC(=O)CC(OCC)c1ccc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1
• InChI: InChI=1S/C25H26F3NO4S.C13H18O4/c1-4-31-21(14-23(30)32-5-2)17-8-12-20(13-9-17)33-15-22-16(3)29-24(34-22)18-6-10-19(11-7-18)25(26,27)28;1-3-16-12(9-13(15)17-4-2)10-5-7-11(14)8-6-10/h6-13,21H,4-5,14-15H2,1-3H3;5-8,12,14H,3-4,9H2,1-2H3
• InChIKey: AYFCAQXKDZRESN-UHFFFAOYSA-N
• XLogP: 9.17
• TPSA: 113.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.83
LogP ≤ 5	9.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl 3-ethoxy-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoate?

The IUPAC name of ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl 3-ethoxy-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoate (CID 157267984) is ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl 3-ethoxy-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoate.

What is the SMILES notation for ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl 3-ethoxy-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoate?

The canonical SMILES for ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl 3-ethoxy-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoate is CCOC(=O)CC(OCC)c1ccc(O)cc1.CCOC(=O)CC(OCC)c1ccc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1.

What is the InChIKey of ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl 3-ethoxy-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoate?

The InChIKey is AYFCAQXKDZRESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3NO4S.C13H18O4/c1-4-31-21(14-23(30)32-5-2)17-8-12-20(13-9-17)33-15-22-16(3)29-24(34-22)18-6-10-19(11-7-18)25(26,27)28;1-3-16-12(9-13(15)17-4-2)10-5-7-11(14)8-6-10/h6-13,21H,4-5,14-15H2,1-3H3;5-8,12,14H,3-4,9H2,1-2H3.

What are the key properties of ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl 3-ethoxy-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoate?

ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl 3-ethoxy-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoate has a molecular weight of 731.83 g/mol, XLogP of 9.17, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl 3-ethoxy-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoate is sourced from PubChem (CID 157267984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).