ethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate

C27H27F3O5 — CID 58008162

IUPACethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2cccc(OC(F)(F)F)c2)cc1Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C27H27F3O5/c1-5-32-25(31)17-33-23-13-12-19(18-8-6-11-22(14-18)35-27(28,29)30)15-24(23)34-21-10-7-9-20(16-21)26(2,3)4/h6-16H,5,17H2,1-4H3
InChIKeyFJYHXUGKAZEHOG-UHFFFAOYSA-N
MW488.50 g/mol
LogP7.28
Rot. Bonds8

About ethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate

ethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate (PubChem CID 58008162) has the molecular formula C27H27F3O5 and a molecular weight of 488.50 g/mol. Its IUPAC name is ethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate
PubChem CID58008162
Molecular FormulaC27H27F3O5
Molecular Weight488.50 g/mol
Exact Mass488.18
IUPAC Nameethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2cccc(OC(F)(F)F)c2)cc1Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C27H27F3O5/c1-5-32-25(31)17-33-23-13-12-19(18-8-6-11-22(14-18)35-27(28,29)30)15-24(23)34-21-10-7-9-20(16-21)26(2,3)4/h6-16H,5,17H2,1-4H3
InChIKeyFJYHXUGKAZEHOG-UHFFFAOYSA-N
XLogP7.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.50
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]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 2-[2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)anilino]phenoxy]acetate
CID 58007883
ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134632735
ethyl 2-[2-(4-tert-butylbenzoyl)-4-[4-(trifluoromethoxy)phenyl]phenoxy]acetate
CID 58007711
ethyl 2-[2-(4-tert-butylphenoxy)-4-(4-pentoxyphenyl)phenoxy]acetate
CID 58007753
ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633459
2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514248
ethyl 2-[2-(4-tert-butylphenoxy)-4-[4-[(Z)-3-ethyl-2-methylpent-1-enyl]phenyl]phenoxy]acetate
CID 70960934
ethyl 2-[2-[(4-tert-butylphenyl)methoxy]-6-hydroxy-4-[4-(trifluoromethoxy)phenyl]phenoxy]acetate
CID 58008144
ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethyl)phenyl]benzoate
CID 134622584
ethyl 2-[2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenoxy]hexanoate
CID 58008125
ethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998059
ethyl 4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633502

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate (CID 58008162) is ethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate is CCOC(=O)COc1ccc(-c2cccc(OC(F)(F)F)c2)cc1Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of ethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate?
The InChIKey is FJYHXUGKAZEHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3O5/c1-5-32-25(31)17-33-23-13-12-19(18-8-6-11-22(14-18)35-27(28,29)30)15-24(23)34-21-10-7-9-20(16-21)26(2,3)4/h6-16H,5,17H2,1-4H3.
What are the key properties of ethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate?
ethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate has a molecular weight of 488.50 g/mol, XLogP of 7.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-tert-butylphenoxy)-4-[3-(trifluoromethoxy)phenyl]phenoxy]acetate is sourced from PubChem (CID 58008162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).