2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid

C15H11F3O4 — CID 134628353

IUPAC2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid
SMILESCOc1ccc(-c2ccccc2OC(F)(F)F)cc1C(=O)O
InChIInChI=1S/C15H11F3O4/c1-21-12-7-6-9(8-11(12)14(19)20)10-4-2-3-5-13(10)22-15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyFCEOCPCOSWYQHI-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.96
Rot. Bonds4

About 2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid

2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid (PubChem CID 134628353) has the molecular formula C15H11F3O4 and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid
PubChem CID134628353
Molecular FormulaC15H11F3O4
Molecular Weight312.24 g/mol
Exact Mass312.06
IUPAC Name2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid
SMILESCOc1ccc(-c2ccccc2OC(F)(F)F)cc1C(=O)O
InChIInChI=1S/C15H11F3O4/c1-21-12-7-6-9(8-11(12)14(19)20)10-4-2-3-5-13(10)22-15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyFCEOCPCOSWYQHI-UHFFFAOYSA-N
XLogP3.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid
CID 118831979
2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134620786
1-methyl-5-[2-(trifluoromethoxy)phenyl]indole-3-carboxylic acid
CID 172654697
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid
CID 46314414
ethyl 2-hydroxy-5-[2-(trifluoromethoxy)phenyl]benzoate
CID 134633451
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 103694050
5-[5-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoic acid
CID 138584697
5-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)benzoic acid
CID 172650133
2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 118803810
2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514239

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid?
The IUPAC name of 2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid (CID 134628353) is 2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid is COc1ccc(-c2ccccc2OC(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid?
The InChIKey is FCEOCPCOSWYQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O4/c1-21-12-7-6-9(8-11(12)14(19)20)10-4-2-3-5-13(10)22-15(16,17)18/h2-8H,1H3,(H,19,20).
What are the key properties of 2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid?
2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid has a molecular weight of 312.24 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid is sourced from PubChem (CID 134628353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).