3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid

C23H18F4O4 — CID 67444349

IUPAC3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
SMILESO=C(O)CCc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C23H18F4O4/c24-19-7-1-15(2-8-19)14-30-21-11-5-17(13-18(21)6-12-22(28)29)16-3-9-20(10-4-16)31-23(25,26)27/h1-5,7-11,13H,6,12,14H2,(H,28,29)
InChIKeyUVLAKNDHIRFDAP-UHFFFAOYSA-N
MW434.39 g/mol
LogP5.99
Rot. Bonds8

About 3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid

3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid (PubChem CID 67444349) has the molecular formula C23H18F4O4 and a molecular weight of 434.39 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
PubChem CID67444349
Molecular FormulaC23H18F4O4
Molecular Weight434.39 g/mol
Exact Mass434.11
IUPAC Name3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
SMILESO=C(O)CCc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C23H18F4O4/c24-19-7-1-15(2-8-19)14-30-21-11-5-17(13-18(21)6-12-22(28)29)16-3-9-20(10-4-16)31-23(25,26)27/h1-5,7-11,13H,6,12,14H2,(H,28,29)
InChIKeyUVLAKNDHIRFDAP-UHFFFAOYSA-N
XLogP5.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.39
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[2-[(4-nitrophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 58007971
3-[4-[(4-tert-butylphenyl)methoxy]-3-(2-carboxyethyl)phenyl]benzoic acid
CID 67443166
5-[4-[4-(trifluoromethoxy)phenyl]phenyl]pentanoic acid
CID 68891418
3-[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]propanoic acid
CID 134621137
3-[[4-[[3,5-bis[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzoyl]amino]propanoic acid
CID 11852244
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide
CID 155345859
2-[(4-chlorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 58007960
3-(2-ethoxy-5-phenylphenyl)propanoic acid
CID 83969109
ethyl 3-[2-[(4-tert-butylphenyl)methoxy]-5-[4-(trifluoromethoxy)anilino]phenyl]propanoate
CID 58007904
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767
2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 105344812
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
The IUPAC name of 3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid (CID 67444349) is 3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid is O=C(O)CCc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
The InChIKey is UVLAKNDHIRFDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4O4/c24-19-7-1-15(2-8-19)14-30-21-11-5-17(13-18(21)6-12-22(28)29)16-3-9-20(10-4-16)31-23(25,26)27/h1-5,7-11,13H,6,12,14H2,(H,28,29).
What are the key properties of 3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid has a molecular weight of 434.39 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid is sourced from PubChem (CID 67444349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).