tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde

C130H133F6N5O13 — CID 165087330

About tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde

tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde (PubChem CID 165087330) has the molecular formula C130H133F6N5O13 and a molecular weight of 2087.50 g/mol. Its IUPAC name is tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde.

Molecular Properties

• Compound Name: tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde
• PubChem CID: 165087330
• Molecular Formula: C130H133F6N5O13
• Molecular Weight: 2087.50 g/mol
• Exact Mass: 2085.98
• IUPAC Name: tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde
• SMILES: COc1ccc(/C=C/c2cc(C)c(O)c(F)c2)cc1.COc1ccc(/C=C\c2cc(C=O)c(C)c(OC)c2)cc1.Cc1cc(/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1O.Cc1cc(/C=C/c2cccc(C(F)(F)F)c2)cc(F)c1O.Cc1cc(/C=C/c2ccccn2)cc(C)c1O.Cc1cc(/C=C/c2ccccn2)cc(F)c1O.Cc1cc(/C=C/c2ccncc2)cc(C)c1O.Cc1ccc(/C=C/c2cc(C)c(O)c(C)c2)cn1
• InChI: InChI=1S/C20H29NO3.C18H18O3.C16H12F4O.C16H15FO2.C16H17NO.2C15H15NO.C14H12FNO/c1-14-12-17(13-15(2)18(14)22)7-6-16-8-10-21(11-9-16)19(23)24-20(3,4)5;1-13-16(12-19)10-15(11-18(13)21-3)5-4-14-6-8-17(20-2)9-7-14;1-10-7-12(9-14(17)15(10)21)6-5-11-3-2-4-13(8-11)16(18,19)20;1-11-9-13(10-15(17)16(11)18)4-3-12-5-7-14(19-2)8-6-12;1-11-8-15(9-12(2)16(11)18)7-6-14-5-4-13(3)17-10-14;1-11-9-14(10-12(2)15(11)17)4-3-13-5-7-16-8-6-13;1-11-9-13(10-12(2)15(11)17)6-7-14-5-3-4-8-16-14;1-10-8-11(9-13(15)14(10)17)5-6-12-4-2-3-7-16-12/h6-7,12-13,16,22H,8-11H2,1-5H3;4-12H,1-3H3;2-9,21H,1H3;3-10,18H,1-2H3;4-10,18H,1-3H3;2*3-10,17H,1-2H3;2-9,17H,1H3/b7-6+;5-4-;6-5+;4-3+;7-6+;4-3+;7-6+;6-5+
• InChIKey: WCPJZQUZCQROJJ-HUONAFSESA-N
• XLogP: 32.15
• TPSA: 267.47 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2087.50
LogP ≤ 5	32.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde?

The IUPAC name of tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde (CID 165087330) is tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde.

What is the SMILES notation for tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde?

The canonical SMILES for tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde is COc1ccc(/C=C/c2cc(C)c(O)c(F)c2)cc1.COc1ccc(/C=C\c2cc(C=O)c(C)c(OC)c2)cc1.Cc1cc(/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1O.Cc1cc(/C=C/c2cccc(C(F)(F)F)c2)cc(F)c1O.Cc1cc(/C=C/c2ccccn2)cc(C)c1O.Cc1cc(/C=C/c2ccccn2)cc(F)c1O.Cc1cc(/C=C/c2ccncc2)cc(C)c1O.Cc1ccc(/C=C/c2cc(C)c(O)c(C)c2)cn1.

What is the InChIKey of tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde?

The InChIKey is WCPJZQUZCQROJJ-HUONAFSESA-N. The full InChI is InChI=1S/C20H29NO3.C18H18O3.C16H12F4O.C16H15FO2.C16H17NO.2C15H15NO.C14H12FNO/c1-14-12-17(13-15(2)18(14)22)7-6-16-8-10-21(11-9-16)19(23)24-20(3,4)5;1-13-16(12-19)10-15(11-18(13)21-3)5-4-14-6-8-17(20-2)9-7-14;1-10-7-12(9-14(17)15(10)21)6-5-11-3-2-4-13(8-11)16(18,19)20;1-11-9-13(10-15(17)16(11)18)4-3-12-5-7-14(19-2)8-6-12;1-11-8-15(9-12(2)16(11)18)7-6-14-5-4-13(3)17-10-14;1-11-9-14(10-12(2)15(11)17)4-3-13-5-7-16-8-6-13;1-11-9-13(10-12(2)15(11)17)6-7-14-5-3-4-8-16-14;1-10-8-11(9-13(15)14(10)17)5-6-12-4-2-3-7-16-12/h6-7,12-13,16,22H,8-11H2,1-5H3;4-12H,1-3H3;2-9,21H,1H3;3-10,18H,1-2H3;4-10,18H,1-3H3;2*3-10,17H,1-2H3;2-9,17H,1H3/b7-6+;5-4-;6-5+;4-3+;7-6+;4-3+;7-6+;6-5+.

What are the key properties of tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde?

tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde has a molecular weight of 2087.50 g/mol, XLogP of 32.15, 20 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde is sourced from PubChem (CID 165087330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).