2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid

C24H19F3O4 — CID 140513611

IUPAC2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cccc(OC/C=C/c3ccccc3OC(F)(F)F)c2)c1
InChIInChI=1S/C24H19F3O4/c25-24(26,27)31-22-12-2-1-7-18(22)10-5-13-30-21-11-4-9-20(16-21)19-8-3-6-17(14-19)15-23(28)29/h1-12,14,16H,13,15H2,(H,28,29)/b10-5+
InChIKeyDCAGHXWXKNBOTC-BJMVGYQFSA-N
MW428.41 g/mol
LogP5.97
Rot. Bonds8

About 2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid

2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid (PubChem CID 140513611) has the molecular formula C24H19F3O4 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid
PubChem CID140513611
Molecular FormulaC24H19F3O4
Molecular Weight428.41 g/mol
Exact Mass428.12
IUPAC Name2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cccc(OC/C=C/c3ccccc3OC(F)(F)F)c2)c1
InChIInChI=1S/C24H19F3O4/c25-24(26,27)31-22-12-2-1-7-18(22)10-5-13-30-21-11-4-9-20(16-21)19-8-3-6-17(14-19)15-23(28)29/h1-12,14,16H,13,15H2,(H,28,29)/b10-5+
InChIKeyDCAGHXWXKNBOTC-BJMVGYQFSA-N
XLogP5.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid with MolForge

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Related Compounds

2-[3-[3-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enoxy]phenyl]phenyl]acetic acid
CID 91236588
1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene
CID 135029746
2-[2-fluoro-5-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid
CID 69496132
[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enyl] formate
CID 173173507
2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
CID 84690473
2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid
CID 63899374
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-[2-fluoro-6-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 133089276
2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid
CID 69488903
2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368
sodium;2-[4-fluoro-3-[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]phenyl]acetic acid;hydride
CID 173102219
S-[3-[2-(trifluoromethoxy)phenyl]prop-2-enyl] ethanethioate
CID 169457765

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid (CID 140513611) is 2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid is O=C(O)Cc1cccc(-c2cccc(OC/C=C/c3ccccc3OC(F)(F)F)c2)c1.
What is the InChIKey of 2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid?
The InChIKey is DCAGHXWXKNBOTC-BJMVGYQFSA-N. The full InChI is InChI=1S/C24H19F3O4/c25-24(26,27)31-22-12-2-1-7-18(22)10-5-13-30-21-11-4-9-20(16-21)19-8-3-6-17(14-19)15-23(28)29/h1-12,14,16H,13,15H2,(H,28,29)/b10-5+.
What are the key properties of 2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid?
2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid has a molecular weight of 428.41 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid is sourced from PubChem (CID 140513611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).