2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid

C19H15F3O5 — CID 24561718

IUPAC2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid
SMILESCC(Oc1ccc(C(=O)/C=C/c2ccccc2OC(F)(F)F)cc1)C(=O)O
InChIInChI=1S/C19H15F3O5/c1-12(18(24)25)26-15-9-6-13(7-10-15)16(23)11-8-14-4-2-3-5-17(14)27-19(20,21)22/h2-12H,1H3,(H,24,25)/b11-8+
InChIKeyFHEGRGDCANKRNV-DHZHZOJOSA-N
MW380.32 g/mol
LogP4.33
Rot. Bonds7

About 2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid

2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid (PubChem CID 24561718) has the molecular formula C19H15F3O5 and a molecular weight of 380.32 g/mol. Its IUPAC name is 2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid
PubChem CID24561718
Molecular FormulaC19H15F3O5
Molecular Weight380.32 g/mol
Exact Mass380.09
IUPAC Name2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid
SMILESCC(Oc1ccc(C(=O)/C=C/c2ccccc2OC(F)(F)F)cc1)C(=O)O
InChIInChI=1S/C19H15F3O5/c1-12(18(24)25)26-15-9-6-13(7-10-15)16(23)11-8-14-4-2-3-5-17(14)27-19(20,21)22/h2-12H,1H3,(H,24,25)/b11-8+
InChIKeyFHEGRGDCANKRNV-DHZHZOJOSA-N
XLogP4.33
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 70288078
(2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid
CID 103338212
(E)-1-(3-hydroxyphenyl)-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 35789245
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
(E)-3-[2-(difluoromethoxy)phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 6039064
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
(2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid
CID 92932031
N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide
CID 67793429
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
(E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol
CID 103971309
N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide
CID 6216700

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid?
The IUPAC name of 2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid (CID 24561718) is 2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid?
The canonical SMILES for 2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid is CC(Oc1ccc(C(=O)/C=C/c2ccccc2OC(F)(F)F)cc1)C(=O)O.
What is the InChIKey of 2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid?
The InChIKey is FHEGRGDCANKRNV-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H15F3O5/c1-12(18(24)25)26-15-9-6-13(7-10-15)16(23)11-8-14-4-2-3-5-17(14)27-19(20,21)22/h2-12H,1H3,(H,24,25)/b11-8+.
What are the key properties of 2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid?
2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid has a molecular weight of 380.32 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid is sourced from PubChem (CID 24561718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).