3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol

C186H210O28 — CID 157425992

IUPAC3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol
SMILESC=C(C)C(O)Cc1c(/C=C/c2ccccc2)cc(O)c(CC=C(C)C)c1O.CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccccc2)c(C(=O)O)c1O.CC(C)=CCc1c(O)cc(/C=C/c2ccccc2)c2c1OC(C(C)(C)O)C2.COc1cc(/C=C/c2ccccc2)c(C(=O)O)c(O)c1C/C=C(\C)CCC=C(C)C.COc1cc(/C=C/c2ccccc2)c(C(=O)O)c2c1CC(C(C)(C)O)O2.COc1cc(/C=C/c2ccccc2)c(C(=O)O)c2c1CC(O)C(C)(C)O2.COc1cc(/C=C/c2ccccc2)cc(O)c1C/C=C(\C)CCC=C(C)C.COc1cc(/C=C/c2ccccc2)cc(O)c1CC=C(C)C
InChIInChI=1S/C26H30O4.C25H28O4.C25H30O2.2C24H28O3.2C21H22O5.C20H22O2/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20;1-17(2)8-7-9-18(3)12-15-21-22(26)16-20(23(24(21)27)25(28)29)14-13-19-10-5-4-6-11-19;1-19(2)9-8-10-20(3)13-16-23-24(26)17-22(18-25(23)27-4)15-14-21-11-6-5-7-12-21;1-16(2)10-13-19-21(25)14-18(12-11-17-8-6-5-7-9-17)20-15-22(24(3,4)26)27-23(19)20;1-16(2)10-13-20-23(26)14-19(12-11-18-8-6-5-7-9-18)21(24(20)27)15-22(25)17(3)4;1-21(2,24)17-12-15-16(25-3)11-14(18(20(22)23)19(15)26-17)10-9-13-7-5-4-6-8-13;1-21(2)17(22)12-15-16(25-3)11-14(18(20(23)24)19(15)26-21)10-9-13-7-5-4-6-8-13;1-15(2)9-12-18-19(21)13-17(14-20(18)22-3)11-10-16-7-5-4-6-8-16/h5-7,9,11-15,17,27H,8,10,16H2,1-4H3,(H,28,29);4-6,8,10-14,16,26-27H,7,9,15H2,1-3H3,(H,28,29);5-7,9,11-15,17-18,26H,8,10,16H2,1-4H3;5-12,14,22,25-26H,13,15H2,1-4H3;5-12,14,22,25-27H,3,13,15H2,1-2,4H3;4-11,17,24H,12H2,1-3H3,(H,22,23);4-11,17,22H,12H2,1-3H3,(H,23,24);4-11,13-14,21H,12H2,1-3H3/b15-14+,19-13+;14-13+,18-12+;15-14+,20-13+;2*12-11+;2*10-9+;11-10+
InChIKeyBPYRVHKHGHATCS-UPEXTQAJSA-N
MW2893.70 g/mol
LogP42.27
Rot. Bonds51

About 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol

3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol (PubChem CID 157425992) has the molecular formula C186H210O28 and a molecular weight of 2893.70 g/mol. Its IUPAC name is 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol.

Molecular Properties

Compound Name3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol
PubChem CID157425992
Molecular FormulaC186H210O28
Molecular Weight2893.70 g/mol
Exact Mass2891.50
IUPAC Name3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol
SMILESC=C(C)C(O)Cc1c(/C=C/c2ccccc2)cc(O)c(CC=C(C)C)c1O.CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccccc2)c(C(=O)O)c1O.CC(C)=CCc1c(O)cc(/C=C/c2ccccc2)c2c1OC(C(C)(C)O)C2.COc1cc(/C=C/c2ccccc2)c(C(=O)O)c(O)c1C/C=C(\C)CCC=C(C)C.COc1cc(/C=C/c2ccccc2)c(C(=O)O)c2c1CC(C(C)(C)O)O2.COc1cc(/C=C/c2ccccc2)c(C(=O)O)c2c1CC(O)C(C)(C)O2.COc1cc(/C=C/c2ccccc2)cc(O)c1C/C=C(\C)CCC=C(C)C.COc1cc(/C=C/c2ccccc2)cc(O)c1CC=C(C)C
InChIInChI=1S/C26H30O4.C25H28O4.C25H30O2.2C24H28O3.2C21H22O5.C20H22O2/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20;1-17(2)8-7-9-18(3)12-15-21-22(26)16-20(23(24(21)27)25(28)29)14-13-19-10-5-4-6-11-19;1-19(2)9-8-10-20(3)13-16-23-24(26)17-22(18-25(23)27-4)15-14-21-11-6-5-7-12-21;1-16(2)10-13-19-21(25)14-18(12-11-17-8-6-5-7-9-17)20-15-22(24(3,4)26)27-23(19)20;1-16(2)10-13-20-23(26)14-19(12-11-18-8-6-5-7-9-18)21(24(20)27)15-22(25)17(3)4;1-21(2,24)17-12-15-16(25-3)11-14(18(20(22)23)19(15)26-17)10-9-13-7-5-4-6-8-13;1-21(2)17(22)12-15-16(25-3)11-14(18(20(23)24)19(15)26-21)10-9-13-7-5-4-6-8-13;1-15(2)9-12-18-19(21)13-17(14-20(18)22-3)11-10-16-7-5-4-6-8-16/h5-7,9,11-15,17,27H,8,10,16H2,1-4H3,(H,28,29);4-6,8,10-14,16,26-27H,7,9,15H2,1-3H3,(H,28,29);5-7,9,11-15,17-18,26H,8,10,16H2,1-4H3;5-12,14,22,25-26H,13,15H2,1-4H3;5-12,14,22,25-27H,3,13,15H2,1-2,4H3;4-11,17,24H,12H2,1-3H3,(H,22,23);4-11,17,22H,12H2,1-3H3,(H,23,24);4-11,13-14,21H,12H2,1-3H3/b15-14+,19-13+;14-13+,18-12+;15-14+,20-13+;2*12-11+;2*10-9+;11-10+
InChIKeyBPYRVHKHGHATCS-UPEXTQAJSA-N
XLogP42.27
TPSA465.80 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds51
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002893.70
LogP ≤ 542.27
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol?
The IUPAC name of 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol (CID 157425992) is 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol.
What is the SMILES notation for 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol?
The canonical SMILES for 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol is C=C(C)C(O)Cc1c(/C=C/c2ccccc2)cc(O)c(CC=C(C)C)c1O.CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccccc2)c(C(=O)O)c1O.CC(C)=CCc1c(O)cc(/C=C/c2ccccc2)c2c1OC(C(C)(C)O)C2.COc1cc(/C=C/c2ccccc2)c(C(=O)O)c(O)c1C/C=C(\C)CCC=C(C)C.COc1cc(/C=C/c2ccccc2)c(C(=O)O)c2c1CC(C(C)(C)O)O2.COc1cc(/C=C/c2ccccc2)c(C(=O)O)c2c1CC(O)C(C)(C)O2.COc1cc(/C=C/c2ccccc2)cc(O)c1C/C=C(\C)CCC=C(C)C.COc1cc(/C=C/c2ccccc2)cc(O)c1CC=C(C)C.
What is the InChIKey of 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol?
The InChIKey is BPYRVHKHGHATCS-UPEXTQAJSA-N. The full InChI is InChI=1S/C26H30O4.C25H28O4.C25H30O2.2C24H28O3.2C21H22O5.C20H22O2/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20;1-17(2)8-7-9-18(3)12-15-21-22(26)16-20(23(24(21)27)25(28)29)14-13-19-10-5-4-6-11-19;1-19(2)9-8-10-20(3)13-16-23-24(26)17-22(18-25(23)27-4)15-14-21-11-6-5-7-12-21;1-16(2)10-13-19-21(25)14-18(12-11-17-8-6-5-7-9-17)20-15-22(24(3,4)26)27-23(19)20;1-16(2)10-13-20-23(26)14-19(12-11-18-8-6-5-7-9-18)21(24(20)27)15-22(25)17(3)4;1-21(2,24)17-12-15-16(25-3)11-14(18(20(22)23)19(15)26-17)10-9-13-7-5-4-6-8-13;1-21(2)17(22)12-15-16(25-3)11-14(18(20(23)24)19(15)26-21)10-9-13-7-5-4-6-8-13;1-15(2)9-12-18-19(21)13-17(14-20(18)22-3)11-10-16-7-5-4-6-8-16/h5-7,9,11-15,17,27H,8,10,16H2,1-4H3,(H,28,29);4-6,8,10-14,16,26-27H,7,9,15H2,1-3H3,(H,28,29);5-7,9,11-15,17-18,26H,8,10,16H2,1-4H3;5-12,14,22,25-26H,13,15H2,1-4H3;5-12,14,22,25-27H,3,13,15H2,1-2,4H3;4-11,17,24H,12H2,1-3H3,(H,22,23);4-11,17,22H,12H2,1-3H3,(H,23,24);4-11,13-14,21H,12H2,1-3H3/b15-14+,19-13+;14-13+,18-12+;15-14+,20-13+;2*12-11+;2*10-9+;11-10+.
What are the key properties of 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol?
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol has a molecular weight of 2893.70 g/mol, XLogP of 42.27, 51 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-[(E)-2-phenylethenyl]phenol;3-hydroxy-5-methoxy-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-8-carboxylic acid;4-(2-hydroxy-3-methylbut-3-enyl)-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol;2-(2-hydroxypropan-2-yl)-4-methoxy-6-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-7-carboxylic acid;2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol;3-methoxy-2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol is sourced from PubChem (CID 157425992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).