ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate

C17H15F3O4 — CID 134633459

IUPACethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate
SMILESCCOC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)ccc1OC
InChIInChI=1S/C17H15F3O4/c1-3-23-16(21)14-10-12(7-8-15(14)22-2)11-5-4-6-13(9-11)24-17(18,19)20/h4-10H,3H2,1-2H3
InChIKeyZFCJFDYCKCGIKF-UHFFFAOYSA-N
MW340.30 g/mol
LogP4.44
Rot. Bonds5

About ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate

ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate (PubChem CID 134633459) has the molecular formula C17H15F3O4 and a molecular weight of 340.30 g/mol. Its IUPAC name is ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate.

Molecular Properties

Compound Nameethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate
PubChem CID134633459
Molecular FormulaC17H15F3O4
Molecular Weight340.30 g/mol
Exact Mass340.09
IUPAC Nameethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate
SMILESCCOC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)ccc1OC
InChIInChI=1S/C17H15F3O4/c1-3-23-16(21)14-10-12(7-8-15(14)22-2)11-5-4-6-13(9-11)24-17(18,19)20/h4-10H,3H2,1-2H3
InChIKeyZFCJFDYCKCGIKF-UHFFFAOYSA-N
XLogP4.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134632735
ethyl 5-pyridin-3-yl-2-(trifluoromethoxy)benzoate
CID 46317929
ethyl 4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633502
2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol
CID 53221067
[2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
CID 171037282
ethyl 5-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxylate
CID 175986732
ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethyl)phenyl]benzoate
CID 134622584
ethyl 3-nitro-2-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633750
ethyl 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxylate
CID 156881456
ethyl 2-methoxy-6-(trifluoromethoxy)benzoate
CID 170997101
1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118821679
methyl 2-methoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]benzoate
CID 126598523

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate?
The IUPAC name of ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate (CID 134633459) is ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate.
What is the SMILES notation for ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate?
The canonical SMILES for ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate is CCOC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)ccc1OC.
What is the InChIKey of ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate?
The InChIKey is ZFCJFDYCKCGIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O4/c1-3-23-16(21)14-10-12(7-8-15(14)22-2)11-5-4-6-13(9-11)24-17(18,19)20/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate?
ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate has a molecular weight of 340.30 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate is sourced from PubChem (CID 134633459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).