benzyl N-[2-[4-[(E)-1-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate;benzyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate

C73H73N2O11P — CID 157226231

About benzyl N-[2-[4-[(E)-1-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate;benzyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate

benzyl N-[2-[4-[(E)-1-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate;benzyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate (PubChem CID 157226231) has the molecular formula C73H73N2O11P and a molecular weight of 1185.36 g/mol. Its IUPAC name is benzyl N-[2-[4-[(E)-1-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate;benzyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: benzyl N-[2-[4-[(E)-1-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate;benzyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate
• PubChem CID: 157226231
• Molecular Formula: C73H73N2O11P
• Molecular Weight: 1185.36 g/mol
• Exact Mass: 1184.50
• IUPAC Name: benzyl N-[2-[4-[(E)-1-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate;benzyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate
• SMILES: CC/C(=C(/c1ccc(OCCN(C)C(=O)OCc2ccccc2)cc1)c1ccc(OP(=O)(O)OCc2ccccc2)cc1)c1ccccc1.CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)OCc2ccccc2)cc1)c1ccccc1
• InChI: InChI=1S/C40H40NO7P.C33H33NO4/c1-3-38(33-17-11-6-12-18-33)39(35-21-25-37(26-22-35)48-49(43,44)47-30-32-15-9-5-10-16-32)34-19-23-36(24-20-34)45-28-27-41(2)40(42)46-29-31-13-7-4-8-14-31;1-3-31(26-12-8-5-9-13-26)32(27-14-18-29(35)19-15-27)28-16-20-30(21-17-28)37-23-22-34(2)33(36)38-24-25-10-6-4-7-11-25/h4-26H,3,27-30H2,1-2H3,(H,43,44);4-21,35H,3,22-24H2,1-2H3/b39-38+;32-31-
• InChIKey: ATOKNODDSMKLHL-XJWJENACSA-N
• XLogP: 16.81
• TPSA: 153.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 25
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1185.36
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[4-[(E)-1-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate;benzyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate?

The IUPAC name of benzyl N-[2-[4-[(E)-1-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate;benzyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate (CID 157226231) is benzyl N-[2-[4-[(E)-1-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate;benzyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate.

What is the SMILES notation for benzyl N-[2-[4-[(E)-1-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate;benzyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate?

The canonical SMILES for benzyl N-[2-[4-[(E)-1-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate;benzyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate is CC/C(=C(/c1ccc(OCCN(C)C(=O)OCc2ccccc2)cc1)c1ccc(OP(=O)(O)OCc2ccccc2)cc1)c1ccccc1.CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)OCc2ccccc2)cc1)c1ccccc1.

What is the InChIKey of benzyl N-[2-[4-[(E)-1-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate;benzyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate?

The InChIKey is ATOKNODDSMKLHL-XJWJENACSA-N. The full InChI is InChI=1S/C40H40NO7P.C33H33NO4/c1-3-38(33-17-11-6-12-18-33)39(35-21-25-37(26-22-35)48-49(43,44)47-30-32-15-9-5-10-16-32)34-19-23-36(24-20-34)45-28-27-41(2)40(42)46-29-31-13-7-4-8-14-31;1-3-31(26-12-8-5-9-13-26)32(27-14-18-29(35)19-15-27)28-16-20-30(21-17-28)37-23-22-34(2)33(36)38-24-25-10-6-4-7-11-25/h4-26H,3,27-30H2,1-2H3,(H,43,44);4-21,35H,3,22-24H2,1-2H3/b39-38+;32-31-.

What are the key properties of benzyl N-[2-[4-[(E)-1-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate;benzyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate?

benzyl N-[2-[4-[(E)-1-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate;benzyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate has a molecular weight of 1185.36 g/mol, XLogP of 16.81, 25 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-[4-[(E)-1-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate;benzyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate is sourced from PubChem (CID 157226231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).