(2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid

C19H15F3O3 — CID 87620296

IUPAC(2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
SMILESCOc1ccccc1/C(=C\C=C\C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15F3O3/c1-25-17-7-3-2-5-16(17)15(6-4-8-18(23)24)13-9-11-14(12-10-13)19(20,21)22/h2-12H,1H3,(H,23,24)/b8-4+,15-6-
InChIKeyUSZYHUQVUXZLKC-GOSSNDRJSA-N
MW348.32 g/mol
LogP4.79
Rot. Bonds5

About (2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid

(2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid (PubChem CID 87620296) has the molecular formula C19H15F3O3 and a molecular weight of 348.32 g/mol. Its IUPAC name is (2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
PubChem CID87620296
Molecular FormulaC19H15F3O3
Molecular Weight348.32 g/mol
Exact Mass348.10
IUPAC Name(2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
SMILESCOc1ccccc1/C(=C\C=C\C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15F3O3/c1-25-17-7-3-2-5-16(17)15(6-4-8-18(23)24)13-9-11-14(12-10-13)19(20,21)22/h2-12H,1H3,(H,23,24)/b8-4+,15-6-
InChIKeyUSZYHUQVUXZLKC-GOSSNDRJSA-N
XLogP4.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-5-(2-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87598556
(2E,4Z)-5-(2-cyclobutyloxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87598621
5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 76533381
methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate
CID 14347267
(2E,4Z)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 86633264
5-(4-methylsulfanylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 90829348
5-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 91357045
5-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 91222081
(2E,4E)-5-(4-pyrrol-1-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87598766
5-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 91172090
ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate
CID 57386566
(2E,4Z)-5-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87598688

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid?
The IUPAC name of (2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid (CID 87620296) is (2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid.
What is the SMILES notation for (2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid?
The canonical SMILES for (2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid is COc1ccccc1/C(=C\C=C\C(=O)O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid?
The InChIKey is USZYHUQVUXZLKC-GOSSNDRJSA-N. The full InChI is InChI=1S/C19H15F3O3/c1-25-17-7-3-2-5-16(17)15(6-4-8-18(23)24)13-9-11-14(12-10-13)19(20,21)22/h2-12H,1H3,(H,23,24)/b8-4+,15-6-.
What are the key properties of (2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid?
(2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid has a molecular weight of 348.32 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid is sourced from PubChem (CID 87620296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).