(1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1-(3,5-dimethoxyphenyl)-5-(3-methoxy-5-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one

C₁₃₈H₁₁₃F₉N₆O₁₃ — CID 158843348

About (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1-(3,5-dimethoxyphenyl)-5-(3-methoxy-5-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one

(1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1-(3,5-dimethoxyphenyl)-5-(3-methoxy-5-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one (PubChem CID 158843348) has the molecular formula C₁₃₈H₁₁₃F₉N₆O₁₃ and a molecular weight of 2234.43 g/mol. Its IUPAC name is (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1-(3,5-dimethoxyphenyl)-5-(3-methoxy-5-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one.

Molecular Properties

• Compound Name: (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1-(3,5-dimethoxyphenyl)-5-(3-methoxy-5-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one
• PubChem CID: 158843348
• Molecular Formula: C₁₃₈H₁₁₃F₉N₆O₁₃
• Molecular Weight: 2234.43 g/mol
• Exact Mass: 2232.82
• IUPAC Name: (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1-(3,5-dimethoxyphenyl)-5-(3-methoxy-5-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one
• SMILES: COc1cc(C)cc(/C=C/C(=O)/C=C/c2cc(OC)cc(OC)c2)c1.Cc1cccc(/C=C/C(=O)/C=C/c2cccc(C(F)(F)F)c2)c1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1C(F)(F)F)/C=C/c1ccccc1C(F)(F)F.O=C(/C=C/c1ccccc1O)/C=C/c1ccccc1O.O=C(/C=C/c1ccccn1)/C=C/c1ccccn1.O=C(/C=C/c1cccnc1)/C=C/c1cccnc1.O=C(/C=C/c1ccncc1)/C=C/c1ccncc1
• InChI: InChI=1S/C21H22O4.C19H12F6O.C19H15F3O.C17H14O3.C17H14O.3C15H12N2O/c1-15-9-16(11-19(10-15)23-2)5-7-18(22)8-6-17-12-20(24-3)14-21(13-17)25-4;20-18(21,22)16-7-3-1-5-13(16)9-11-15(26)12-10-14-6-2-4-8-17(14)19(23,24)25;1-14-4-2-5-15(12-14)8-10-18(23)11-9-16-6-3-7-17(13-16)19(20,21)22;18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20;18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;18-15(3-1-13-5-9-16-10-6-13)4-2-14-7-11-17-12-8-14;18-15(7-5-13-3-1-9-16-11-13)8-6-14-4-2-10-17-12-14;18-15(9-7-13-5-1-3-11-16-13)10-8-14-6-2-4-12-17-14/h5-14H,1-4H3;1-12H;2-13H,1H3;1-12,19-20H;1-14H;3*1-12H/b7-5+,8-6+;11-9+,12-10+;10-8+,11-9+;11-9+,12-10+;13-11+,14-12+;3-1+,4-2+;7-5+,8-6+;9-7+,10-8+
• InChIKey: IYNHXHQXLSCOJW-KYMQAQJZSA-N
• XLogP: 31.34
• TPSA: 282.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 35
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2234.43
LogP ≤ 5	31.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1-(3,5-dimethoxyphenyl)-5-(3-methoxy-5-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one?

The IUPAC name of (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1-(3,5-dimethoxyphenyl)-5-(3-methoxy-5-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one (CID 158843348) is (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1-(3,5-dimethoxyphenyl)-5-(3-methoxy-5-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one.

What is the SMILES notation for (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1-(3,5-dimethoxyphenyl)-5-(3-methoxy-5-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one?

The canonical SMILES for (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1-(3,5-dimethoxyphenyl)-5-(3-methoxy-5-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one is COc1cc(C)cc(/C=C/C(=O)/C=C/c2cc(OC)cc(OC)c2)c1.Cc1cccc(/C=C/C(=O)/C=C/c2cccc(C(F)(F)F)c2)c1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1C(F)(F)F)/C=C/c1ccccc1C(F)(F)F.O=C(/C=C/c1ccccc1O)/C=C/c1ccccc1O.O=C(/C=C/c1ccccn1)/C=C/c1ccccn1.O=C(/C=C/c1cccnc1)/C=C/c1cccnc1.O=C(/C=C/c1ccncc1)/C=C/c1ccncc1.

What is the InChIKey of (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1-(3,5-dimethoxyphenyl)-5-(3-methoxy-5-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one?

The InChIKey is IYNHXHQXLSCOJW-KYMQAQJZSA-N. The full InChI is InChI=1S/C21H22O4.C19H12F6O.C19H15F3O.C17H14O3.C17H14O.3C15H12N2O/c1-15-9-16(11-19(10-15)23-2)5-7-18(22)8-6-17-12-20(24-3)14-21(13-17)25-4;20-18(21,22)16-7-3-1-5-13(16)9-11-15(26)12-10-14-6-2-4-8-17(14)19(23,24)25;1-14-4-2-5-15(12-14)8-10-18(23)11-9-16-6-3-7-17(13-16)19(20,21)22;18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20;18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;18-15(3-1-13-5-9-16-10-6-13)4-2-14-7-11-17-12-8-14;18-15(7-5-13-3-1-9-16-11-13)8-6-14-4-2-10-17-12-14;18-15(9-7-13-5-1-3-11-16-13)10-8-14-6-2-4-12-17-14/h5-14H,1-4H3;1-12H;2-13H,1H3;1-12,19-20H;1-14H;3*1-12H/b7-5+,8-6+;11-9+,12-10+;10-8+,11-9+;11-9+,12-10+;13-11+,14-12+;3-1+,4-2+;7-5+,8-6+;9-7+,10-8+.

What are the key properties of (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1-(3,5-dimethoxyphenyl)-5-(3-methoxy-5-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one?

(1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1-(3,5-dimethoxyphenyl)-5-(3-methoxy-5-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one has a molecular weight of 2234.43 g/mol, XLogP of 31.34, 35 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1-(3,5-dimethoxyphenyl)-5-(3-methoxy-5-methylphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one is sourced from PubChem (CID 158843348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158843348 — identifiers, structure, computed properties (public domain)

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