methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate

C15H11F3O4 — CID 14554238

IUPACmethyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1O
InChIInChI=1S/C15H11F3O4/c1-21-14(20)12-7-6-11(8-13(12)19)22-10-4-2-9(3-5-10)15(16,17)18/h2-8,19H,1H3
InChIKeyGFFDMYHKKCLDOD-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.99
Rot. Bonds3

About methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate

methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate (PubChem CID 14554238) has the molecular formula C15H11F3O4 and a molecular weight of 312.24 g/mol. Its IUPAC name is methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate
PubChem CID14554238
Molecular FormulaC15H11F3O4
Molecular Weight312.24 g/mol
Exact Mass312.06
IUPAC Namemethyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1O
InChIInChI=1S/C15H11F3O4/c1-21-14(20)12-7-6-11(8-13(12)19)22-10-4-2-9(3-5-10)15(16,17)18/h2-8,19H,1H3
InChIKeyGFFDMYHKKCLDOD-UHFFFAOYSA-N
XLogP3.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 154115475
methyl 4-(4-tert-butylphenoxy)-2-methylbenzoate
CID 135375152
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
methyl 2-hydroxy-4-sulfooxybenzoate
CID 102439908
2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
CID 21466577
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
methyl 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 146594151
methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate
CID 586358
methyl 3-oxo-3-[4-[4-(trifluoromethyl)phenoxy]anilino]propanoate
CID 169084967
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid
CID 14554243
2-benzamido-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 67342854
methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 146305884

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate?
The IUPAC name of methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate (CID 14554238) is methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate.
What is the SMILES notation for methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate?
The canonical SMILES for methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate is COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1O.
What is the InChIKey of methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate?
The InChIKey is GFFDMYHKKCLDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O4/c1-21-14(20)12-7-6-11(8-13(12)19)22-10-4-2-9(3-5-10)15(16,17)18/h2-8,19H,1H3.
What are the key properties of methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate?
methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate has a molecular weight of 312.24 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate is sourced from PubChem (CID 14554238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).