2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid

C15H11F3O3 — CID 163778981

IUPAC2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)(F)F)c(Oc2ccccc2)c1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)12-7-6-10(9-14(19)20)8-13(12)21-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20)
InChIKeyMMYQIBFFPAZYAJ-UHFFFAOYSA-N
MW296.24 g/mol
LogP4.12
Rot. Bonds4

About 2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid

2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid (PubChem CID 163778981) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid
PubChem CID163778981
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)(F)F)c(Oc2ccccc2)c1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)12-7-6-10(9-14(19)20)8-13(12)21-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20)
InChIKeyMMYQIBFFPAZYAJ-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid (CID 163778981) is 2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid is O=C(O)Cc1ccc(C(F)(F)F)c(Oc2ccccc2)c1.
What is the InChIKey of 2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is MMYQIBFFPAZYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c16-15(17,18)12-7-6-10(9-14(19)20)8-13(12)21-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20).
What are the key properties of 2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid?
2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 296.24 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 163778981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).