2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid

C10H9F3O4 — CID 142685473

IUPAC2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid
SMILESCOc1ccc(C(F)(F)F)c(OCC(=O)O)c1
InChIInChI=1S/C10H9F3O4/c1-16-6-2-3-7(10(11,12)13)8(4-6)17-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyWPXXSCKPQPAJNX-UHFFFAOYSA-N
MW250.17 g/mol
LogP2.18
Rot. Bonds4

About 2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid

2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid (PubChem CID 142685473) has the molecular formula C10H9F3O4 and a molecular weight of 250.17 g/mol. Its IUPAC name is 2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid
PubChem CID142685473
Molecular FormulaC10H9F3O4
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Name2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid
SMILESCOc1ccc(C(F)(F)F)c(OCC(=O)O)c1
InChIInChI=1S/C10H9F3O4/c1-16-6-2-3-7(10(11,12)13)8(4-6)17-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyWPXXSCKPQPAJNX-UHFFFAOYSA-N
XLogP2.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-5-methoxyphenoxy)acetic acid
CID 84669223
2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene
CID 46311605
2-(5-methoxy-2-nitrophenoxy)acetic acid
CID 91683018
2-(5-chlorooxy-2-methylphenoxy)acetic acid
CID 159849914
2-(3-butoxy-4-tert-butylphenoxy)acetic acid
CID 21097481
1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone
CID 166624623
2-[4-[1-(2,4-dimethoxyphenyl)ethyl]phenoxy]acetic acid
CID 20678011
4-amino-4-[4-methoxy-2-(trifluoromethyl)phenyl]butanoic acid
CID 117443816
3-(2-tert-butyl-4-methoxyphenoxy)propanoic acid
CID 16771116
2-(2,4-ditert-butylphenoxy)acetic acid
CID 794760
3-(2-amino-5-methoxyphenoxy)propanoic acid
CID 102702334
2-[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 9448690

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid?
The IUPAC name of 2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid (CID 142685473) is 2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid is COc1ccc(C(F)(F)F)c(OCC(=O)O)c1.
What is the InChIKey of 2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid?
The InChIKey is WPXXSCKPQPAJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O4/c1-16-6-2-3-7(10(11,12)13)8(4-6)17-5-9(14)15/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid?
2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid has a molecular weight of 250.17 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid is sourced from PubChem (CID 142685473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).