2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid

C25H21F3O4 — CID 69496046

IUPAC2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid
SMILESCOc1c(CC(=O)O)cccc1-c1cccc(OCC=Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C25H21F3O4/c1-31-24-19(16-23(29)30)7-3-9-22(24)18-6-2-8-21(15-18)32-14-4-5-17-10-12-20(13-11-17)25(26,27)28/h2-13,15H,14,16H2,1H3,(H,29,30)
InChIKeyKUIZQNOOYNOEQW-UHFFFAOYSA-N
MW442.43 g/mol
LogP6.10
Rot. Bonds8

About 2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid

2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid (PubChem CID 69496046) has the molecular formula C25H21F3O4 and a molecular weight of 442.43 g/mol. Its IUPAC name is 2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid
PubChem CID69496046
Molecular FormulaC25H21F3O4
Molecular Weight442.43 g/mol
Exact Mass442.14
IUPAC Name2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid
SMILESCOc1c(CC(=O)O)cccc1-c1cccc(OCC=Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C25H21F3O4/c1-31-24-19(16-23(29)30)7-3-9-22(24)18-6-2-8-21(15-18)32-14-4-5-17-10-12-20(13-11-17)25(26,27)28/h2-13,15H,14,16H2,1H3,(H,29,30)
InChIKeyKUIZQNOOYNOEQW-UHFFFAOYSA-N
XLogP6.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.43
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid with MolForge

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Related Compounds

2-[2-fluoro-5-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid
CID 69496132
2-[3-methoxy-5-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid
CID 23122342
2-[2-chloro-4-methyl-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid
CID 11294502
3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]benzoic acid
CID 68669942
sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride
CID 173102219
2-[3-[3-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enoxy]phenyl]phenyl]acetic acid
CID 91236588
2-[4-methyl-3-[2-methyl-5-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid
CID 68670680
2-[3-[4-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid
CID 11154941
3,4-dimethoxy-5-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]benzoic acid
CID 23122384
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
3-[[3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]methyl]-4H-1,2,4-oxadiazol-5-one
CID 136654661
3-[4-methyl-2-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]benzoic acid
CID 68669837

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid (CID 69496046) is 2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid is COc1c(CC(=O)O)cccc1-c1cccc(OCC=Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid?
The InChIKey is KUIZQNOOYNOEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3O4/c1-31-24-19(16-23(29)30)7-3-9-22(24)18-6-2-8-21(15-18)32-14-4-5-17-10-12-20(13-11-17)25(26,27)28/h2-13,15H,14,16H2,1H3,(H,29,30).
What are the key properties of 2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid?
2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid has a molecular weight of 442.43 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-3-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid is sourced from PubChem (CID 69496046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).