3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid

C17H15F3O4 — CID 146593712

IUPAC3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid
SMILESO=C(O)CCOc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3O4/c18-17(19,20)13-3-1-12(2-4-13)11-24-15-7-5-14(6-8-15)23-10-9-16(21)22/h1-8H,9-11H2,(H,21,22)
InChIKeyXXHUBOWJZZSSGZ-UHFFFAOYSA-N
MW340.30 g/mol
LogP4.14
Rot. Bonds7

About 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid

3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid (PubChem CID 146593712) has the molecular formula C17H15F3O4 and a molecular weight of 340.30 g/mol. Its IUPAC name is 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid
PubChem CID146593712
Molecular FormulaC17H15F3O4
Molecular Weight340.30 g/mol
Exact Mass340.09
IUPAC Name3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid
SMILESO=C(O)CCOc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3O4/c18-17(19,20)13-3-1-12(2-4-13)11-24-15-7-5-14(6-8-15)23-10-9-16(21)22/h1-8H,9-11H2,(H,21,22)
InChIKeyXXHUBOWJZZSSGZ-UHFFFAOYSA-N
XLogP4.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
propan-2-yl 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoate
CID 146593714
methyl 2,2-dimethyl-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoate
CID 146593777
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
CID 60522254
2-methyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 117220530
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119
propan-2-yl 2-methyl-3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoate
CID 146594133
N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791829

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid?
The IUPAC name of 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid (CID 146593712) is 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid.
What is the SMILES notation for 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid?
The canonical SMILES for 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid is O=C(O)CCOc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid?
The InChIKey is XXHUBOWJZZSSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O4/c18-17(19,20)13-3-1-12(2-4-13)11-24-15-7-5-14(6-8-15)23-10-9-16(21)22/h1-8H,9-11H2,(H,21,22).
What are the key properties of 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid?
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid has a molecular weight of 340.30 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid is sourced from PubChem (CID 146593712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).