(2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid

C18H13F3O3 — CID 87598874

IUPAC(2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid
SMILESO=C(O)/C=C/C=C(\c1ccccc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H13F3O3/c19-18(20,21)24-15-11-9-14(10-12-15)16(7-4-8-17(22)23)13-5-2-1-3-6-13/h1-12H,(H,22,23)/b8-4+,16-7+
InChIKeyYZUJYXNQYLWSLE-GSHVKDJDSA-N
MW334.29 g/mol
LogP4.66
Rot. Bonds5

About (2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid

(2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid (PubChem CID 87598874) has the molecular formula C18H13F3O3 and a molecular weight of 334.29 g/mol. Its IUPAC name is (2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid
PubChem CID87598874
Molecular FormulaC18H13F3O3
Molecular Weight334.29 g/mol
Exact Mass334.08
IUPAC Name(2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid
SMILESO=C(O)/C=C/C=C(\c1ccccc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H13F3O3/c19-18(20,21)24-15-11-9-14(10-12-15)16(7-4-8-17(22)23)13-5-2-1-3-6-13/h1-12H,(H,22,23)/b8-4+,16-7+
InChIKeyYZUJYXNQYLWSLE-GSHVKDJDSA-N
XLogP4.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 54.66
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

5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 76533381
5-phenyl-5-[3-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 91238764
1-thiomorpholin-4-yl-5,5-bis[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one
CID 91374846
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 735857
2-phenyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 70481934
CID 175394563
CID 175394563
(2E)-5,5-bis(4-chlorophenyl)penta-2,4-dienoic acid
CID 14347245
(2E,4Z)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 86633264
methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate
CID 54355919
(2E,4Z)-5-(3-cyclobutyloxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 151033384
(2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87620296

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid?
The IUPAC name of (2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid (CID 87598874) is (2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid is O=C(O)/C=C/C=C(\c1ccccc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid?
The InChIKey is YZUJYXNQYLWSLE-GSHVKDJDSA-N. The full InChI is InChI=1S/C18H13F3O3/c19-18(20,21)24-15-11-9-14(10-12-15)16(7-4-8-17(22)23)13-5-2-1-3-6-13/h1-12H,(H,22,23)/b8-4+,16-7+.
What are the key properties of (2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid?
(2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid has a molecular weight of 334.29 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid is sourced from PubChem (CID 87598874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).