2-[2-phenyl-4-(trifluoromethyl)phenoxy]acetic acid

C15H11F3O3 — CID 54584706

IUPAC2-[2-phenyl-4-(trifluoromethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)11-6-7-13(21-9-14(19)20)12(8-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)
InChIKeyUJYGJIXXTAYAHQ-UHFFFAOYSA-N
MW296.24 g/mol
LogP3.84
Rot. Bonds4

About 2-[2-phenyl-4-(trifluoromethyl)phenoxy]acetic acid

2-[2-phenyl-4-(trifluoromethyl)phenoxy]acetic acid (PubChem CID 54584706) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-[2-phenyl-4-(trifluoromethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-phenyl-4-(trifluoromethyl)phenoxy]acetic acid
PubChem CID54584706
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name2-[2-phenyl-4-(trifluoromethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)11-6-7-13(21-9-14(19)20)12(8-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)
InChIKeyUJYGJIXXTAYAHQ-UHFFFAOYSA-N
XLogP3.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Sobetirome
CID 9862248
2-Naphthoxyacetic acid
CID 8422
(2,6-Dimethylphenoxy)acetic acid
CID 101369
GC-24
CID 448011
Naphthoxyacetic acid
CID 76313
2-(2-Methylphenoxy)acetic acid
CID 74651
p-Methylphenoxyacetic acid
CID 70329
2-(4-Biphenylyloxy)propionic acid
CID 101181
Butanoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-
CID 625983
2-(2-Allylphenoxy)acetic acid
CID 246764
(2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid
CID 83411
(p-Nonylphenoxy)acetic acid
CID 18380

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenyl-4-(trifluoromethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-phenyl-4-(trifluoromethyl)phenoxy]acetic acid (CID 54584706) is 2-[2-phenyl-4-(trifluoromethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-phenyl-4-(trifluoromethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-phenyl-4-(trifluoromethyl)phenoxy]acetic acid is O=C(O)COc1ccc(C(F)(F)F)cc1-c1ccccc1.
What is the InChIKey of 2-[2-phenyl-4-(trifluoromethyl)phenoxy]acetic acid?
The InChIKey is UJYGJIXXTAYAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c16-15(17,18)11-6-7-13(21-9-14(19)20)12(8-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20).
What are the key properties of 2-[2-phenyl-4-(trifluoromethyl)phenoxy]acetic acid?
2-[2-phenyl-4-(trifluoromethyl)phenoxy]acetic acid has a molecular weight of 296.24 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenyl-4-(trifluoromethyl)phenoxy]acetic acid is sourced from PubChem (CID 54584706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).