methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate

C16H13F3O4 — CID 134635550

IUPACmethyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
SMILESCOC(=O)c1ccc(OC)cc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H13F3O4/c1-21-10-7-8-12(15(20)22-2)13(9-10)11-5-3-4-6-14(11)23-16(17,18)19/h3-9H,1-2H3
InChIKeyYRVRQTLJNADXNC-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.05
Rot. Bonds4

About methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate

methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate (PubChem CID 134635550) has the molecular formula C16H13F3O4 and a molecular weight of 326.27 g/mol. Its IUPAC name is methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
PubChem CID134635550
Molecular FormulaC16H13F3O4
Molecular Weight326.27 g/mol
Exact Mass326.08
IUPAC Namemethyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
SMILESCOC(=O)c1ccc(OC)cc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H13F3O4/c1-21-10-7-8-12(15(20)22-2)13(9-10)11-5-3-4-6-14(11)23-16(17,18)19/h3-9H,1-2H3
InChIKeyYRVRQTLJNADXNC-UHFFFAOYSA-N
XLogP4.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-amino-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 168665377
methyl 3-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635680
methyl 2-(2,4-dimethoxyphenyl)benzoate
CID 14078327
methyl 5-methoxy-2-(2-methoxyphenyl)benzoate
CID 11844441
methyl 5-methoxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 47951627
methyl 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134633894
methyl 2-sulfanyl-4-(trifluoromethoxy)benzoate
CID 170999373
methyl 4-sulfanyl-2-(trifluoromethoxy)benzoate
CID 170999377
5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
CID 171115606
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650
methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 133089142
methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3811980

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate?
The IUPAC name of methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate (CID 134635550) is methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate.
What is the SMILES notation for methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate?
The canonical SMILES for methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate is COC(=O)c1ccc(OC)cc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate?
The InChIKey is YRVRQTLJNADXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O4/c1-21-10-7-8-12(15(20)22-2)13(9-10)11-5-3-4-6-14(11)23-16(17,18)19/h3-9H,1-2H3.
What are the key properties of methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate?
methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate has a molecular weight of 326.27 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate is sourced from PubChem (CID 134635550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).