(1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one

C174H161F7N2O24 — CID 158865243

IUPAC(1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one
SMILESC/C(C(=O)/C=C/c1ccc(O)c(CO)c1)=C(O)\C=C\c1ccc(O)c(C)c1.CN(C)c1ccc(/C=C/c2ccccc2)cc1.COc1cc(/C=C/C(=O)/C=C/c2ccc(C)c(CO)c2)ccc1C.COc1ccc(OC)c(/C=C/C(=O)/C=C/c2cc(C)ccc2OC)c1.Cc1cc(/C=C/C(O)=C(\Cc2ccccc2)C(=O)/C=C/c2ccc(O)c(CO)c2)ccc1O.Cc1cc(O)cc(/C=C/c2ccc(O)cc2)c1.O=C(/C=C/c1ccccc1)/C=C/c1cccnc1.O=C(/C=C/c1ccccc1C(F)(F)F)/C=C/c1ccccc1C(F)(F)F.O=C=O.OCc1ccc(/C=C/c2ccccc2F)cc1
InChIInChI=1S/C28H26O5.C22H22O5.C21H22O4.C21H22O3.C19H12F6O.C16H13NO.C16H17N.C15H13FO.C15H14O2.CO2/c1-19-15-21(7-11-25(19)30)9-13-27(32)24(17-20-5-3-2-4-6-20)28(33)14-10-22-8-12-26(31)23(16-22)18-29;1-14-11-16(3-7-19(14)24)4-8-20(25)15(2)21(26)9-5-17-6-10-22(27)18(12-17)13-23;1-15-5-11-20(24-3)16(13-15)6-8-18(22)9-7-17-14-19(23-2)10-12-21(17)25-4;1-15-4-6-17(12-19(15)14-22)8-10-20(23)11-9-18-7-5-16(2)21(13-18)24-3;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;18-16(10-8-14-5-2-1-3-6-14)11-9-15-7-4-12-17-13-15;1-17(2)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14;16-15-4-2-1-3-14(15)10-9-12-5-7-13(11-17)8-6-12;1-11-8-13(10-15(17)9-11)3-2-12-4-6-14(16)7-5-12;2-1-3/h2-16,29-32H,17-18H2,1H3;3-12,23-25,27H,13H2,1-2H3;5-14H,1-4H3;4-13,22H,14H2,1-3H3;1-12H;1-13H;3-13H,1-2H3;1-10,17H,11H2;2-10,16-17H,1H3;/b13-9+,14-10+,27-24-;8-4+,9-5+,20-15-;8-6+,9-7+;10-8+,11-9+;11-9+,12-10+;10-8+,11-9+;9-8+;10-9+;3-2+;
InChIKeyJBDMSOSTKQXGES-KZPKIPTJSA-N
MW2797.18 g/mol
LogP37.49
Rot. Bonds43

About (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one

(1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one (PubChem CID 158865243) has the molecular formula C174H161F7N2O24 and a molecular weight of 2797.18 g/mol. Its IUPAC name is (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one
PubChem CID158865243
Molecular FormulaC174H161F7N2O24
Molecular Weight2797.18 g/mol
Exact Mass2795.13
IUPAC Name(1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one
SMILESC/C(C(=O)/C=C/c1ccc(O)c(CO)c1)=C(O)\C=C\c1ccc(O)c(C)c1.CN(C)c1ccc(/C=C/c2ccccc2)cc1.COc1cc(/C=C/C(=O)/C=C/c2ccc(C)c(CO)c2)ccc1C.COc1ccc(OC)c(/C=C/C(=O)/C=C/c2cc(C)ccc2OC)c1.Cc1cc(/C=C/C(O)=C(\Cc2ccccc2)C(=O)/C=C/c2ccc(O)c(CO)c2)ccc1O.Cc1cc(O)cc(/C=C/c2ccc(O)cc2)c1.O=C(/C=C/c1ccccc1)/C=C/c1cccnc1.O=C(/C=C/c1ccccc1C(F)(F)F)/C=C/c1ccccc1C(F)(F)F.O=C=O.OCc1ccc(/C=C/c2ccccc2F)cc1
InChIInChI=1S/C28H26O5.C22H22O5.C21H22O4.C21H22O3.C19H12F6O.C16H13NO.C16H17N.C15H13FO.C15H14O2.CO2/c1-19-15-21(7-11-25(19)30)9-13-27(32)24(17-20-5-3-2-4-6-20)28(33)14-10-22-8-12-26(31)23(16-22)18-29;1-14-11-16(3-7-19(14)24)4-8-20(25)15(2)21(26)9-5-17-6-10-22(27)18(12-17)13-23;1-15-5-11-20(24-3)16(13-15)6-8-18(22)9-7-17-14-19(23-2)10-12-21(17)25-4;1-15-4-6-17(12-19(15)14-22)8-10-20(23)11-9-18-7-5-16(2)21(13-18)24-3;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;18-16(10-8-14-5-2-1-3-6-14)11-9-15-7-4-12-17-13-15;1-17(2)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14;16-15-4-2-1-3-14(15)10-9-12-5-7-13(11-17)8-6-12;1-11-8-13(10-15(17)9-11)3-2-12-4-6-14(16)7-5-12;2-1-3/h2-16,29-32H,17-18H2,1H3;3-12,23-25,27H,13H2,1-2H3;5-14H,1-4H3;4-13,22H,14H2,1-3H3;1-12H;1-13H;3-13H,1-2H3;1-10,17H,11H2;2-10,16-17H,1H3;/b13-9+,14-10+,27-24-;8-4+,9-5+,20-15-;8-6+,9-7+;10-8+,11-9+;11-9+,12-10+;10-8+,11-9+;9-8+;10-9+;3-2+;
InChIKeyJBDMSOSTKQXGES-KZPKIPTJSA-N
XLogP37.49
TPSA432.37 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds43
Heavy Atoms207
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002797.18
LogP ≤ 537.49
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one?
The IUPAC name of (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one (CID 158865243) is (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one.
What is the SMILES notation for (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one?
The canonical SMILES for (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one is C/C(C(=O)/C=C/c1ccc(O)c(CO)c1)=C(O)\C=C\c1ccc(O)c(C)c1.CN(C)c1ccc(/C=C/c2ccccc2)cc1.COc1cc(/C=C/C(=O)/C=C/c2ccc(C)c(CO)c2)ccc1C.COc1ccc(OC)c(/C=C/C(=O)/C=C/c2cc(C)ccc2OC)c1.Cc1cc(/C=C/C(O)=C(\Cc2ccccc2)C(=O)/C=C/c2ccc(O)c(CO)c2)ccc1O.Cc1cc(O)cc(/C=C/c2ccc(O)cc2)c1.O=C(/C=C/c1ccccc1)/C=C/c1cccnc1.O=C(/C=C/c1ccccc1C(F)(F)F)/C=C/c1ccccc1C(F)(F)F.O=C=O.OCc1ccc(/C=C/c2ccccc2F)cc1.
What is the InChIKey of (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one?
The InChIKey is JBDMSOSTKQXGES-KZPKIPTJSA-N. The full InChI is InChI=1S/C28H26O5.C22H22O5.C21H22O4.C21H22O3.C19H12F6O.C16H13NO.C16H17N.C15H13FO.C15H14O2.CO2/c1-19-15-21(7-11-25(19)30)9-13-27(32)24(17-20-5-3-2-4-6-20)28(33)14-10-22-8-12-26(31)23(16-22)18-29;1-14-11-16(3-7-19(14)24)4-8-20(25)15(2)21(26)9-5-17-6-10-22(27)18(12-17)13-23;1-15-5-11-20(24-3)16(13-15)6-8-18(22)9-7-17-14-19(23-2)10-12-21(17)25-4;1-15-4-6-17(12-19(15)14-22)8-10-20(23)11-9-18-7-5-16(2)21(13-18)24-3;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;18-16(10-8-14-5-2-1-3-6-14)11-9-15-7-4-12-17-13-15;1-17(2)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14;16-15-4-2-1-3-14(15)10-9-12-5-7-13(11-17)8-6-12;1-11-8-13(10-15(17)9-11)3-2-12-4-6-14(16)7-5-12;2-1-3/h2-16,29-32H,17-18H2,1H3;3-12,23-25,27H,13H2,1-2H3;5-14H,1-4H3;4-13,22H,14H2,1-3H3;1-12H;1-13H;3-13H,1-2H3;1-10,17H,11H2;2-10,16-17H,1H3;/b13-9+,14-10+,27-24-;8-4+,9-5+,20-15-;8-6+,9-7+;10-8+,11-9+;11-9+,12-10+;10-8+,11-9+;9-8+;10-9+;3-2+;.
What are the key properties of (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one?
(1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one has a molecular weight of 2797.18 g/mol, XLogP of 37.49, 43 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z,6E)-4-benzyl-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)hepta-1,4,6-trien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;carbon dioxide;(1E,4E)-1-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)penta-1,4-dien-3-one;N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline;[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]methanol;(1E,4Z,6E)-5-hydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methylphenyl)-4-methylhepta-1,4,6-trien-3-one;(1E,4E)-1-[3-(hydroxymethyl)-4-methylphenyl]-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one;3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol;(1E,4E)-1-phenyl-5-pyridin-3-ylpenta-1,4-dien-3-one is sourced from PubChem (CID 158865243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).