[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoyl]amino]phenyl]ethyl phosphate

C206H289N3O35P6S2 — CID 158560122

About [4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoyl]amino]phenyl]ethyl phosphate

[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoyl]amino]phenyl]ethyl phosphate (PubChem CID 158560122) has the molecular formula C206H289N3O35P6S2 and a molecular weight of 3617.54 g/mol. Its IUPAC name is [4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoyl]amino]phenyl]ethyl phosphate.

Molecular Properties

• Compound Name: [4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoyl]amino]phenyl]ethyl phosphate
• PubChem CID: 158560122
• Molecular Formula: C206H289N3O35P6S2
• Molecular Weight: 3617.54 g/mol
• Exact Mass: 3614.88
• IUPAC Name: [4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoyl]amino]phenyl]ethyl phosphate
• SMILES: CCOP(=O)(OCC)OCCc1ccc(NC(=O)c2ccccc2CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc1.CCOP(=O)(OCC)OCCc1ccc(NC(=O)c2ccccc2OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc1.CCOP(=O)(OCC)OCCc1ccc(NC(=O)c2ccccc2SC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc1.CCOP(=O)(OCC)OCCc1ccc(OC(=O)c2ccccc2CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc1.CCOP(=O)(OCC)OCCc1ccc(OC(=O)c2ccccc2OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc1.CCOP(=O)(OCC)OCCc1ccc(OC(=O)c2ccccc2SC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc1
• InChI: InChI=1S/C35H50NO5P.C35H49O6P.C34H48NO6P.C34H48NO5PS.C34H47O7P.C34H47O6PS/c1-7-39-42(38,40-8-2)41-27-26-31-22-24-33(25-23-31)36-35(37)34-21-10-9-19-32(34)20-13-18-30(6)17-12-16-29(5)15-11-14-28(3)4;1-7-38-42(37,39-8-2)40-27-26-31-22-24-33(25-23-31)41-35(36)34-21-10-9-19-32(34)20-13-18-30(6)17-12-16-29(5)15-11-14-28(3)4;1-7-39-42(37,40-8-2)41-26-24-30-19-21-31(22-20-30)35-34(36)32-17-9-10-18-33(32)38-25-23-29(6)16-12-15-28(5)14-11-13-27(3)4;1-7-38-41(37,39-8-2)40-25-23-30-19-21-31(22-20-30)35-34(36)32-17-9-10-18-33(32)42-26-24-29(6)16-12-15-28(5)14-11-13-27(3)4;1-7-38-42(36,39-8-2)40-26-24-30-19-21-31(22-20-30)41-34(35)32-17-9-10-18-33(32)37-25-23-29(6)16-12-15-28(5)14-11-13-27(3)4;1-7-37-41(36,38-8-2)39-25-23-30-19-21-31(22-20-30)40-34(35)32-17-9-10-18-33(32)42-26-24-29(6)16-12-15-28(5)14-11-13-27(3)4/h9-10,14,16,18-19,21-25H,7-8,11-13,15,17,20,26-27H2,1-6H3,(H,36,37);9-10,14,16,18-19,21-25H,7-8,11-13,15,17,20,26-27H2,1-6H3;9-10,13,15,17-23H,7-8,11-12,14,16,24-26H2,1-6H3,(H,35,36);9-10,13,15,17-22,24H,7-8,11-12,14,16,23,25-26H2,1-6H3,(H,35,36);9-10,13,15,17-23H,7-8,11-12,14,16,24-26H2,1-6H3;9-10,13,15,17-22,24H,7-8,11-12,14,16,23,25-26H2,1-6H3/b2*29-16+,30-18+;28-15+,29-23+;28-15+,29-24+;28-15+,29-23+;28-15+,29-24+
• InChIKey: HQTVXKYJUHNZIP-QQYLQQOPSA-N
• XLogP: 59.30
• TPSA: 453.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 37
• Rotatable Bonds: 114
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3617.54
LogP ≤ 5	59.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoyl]amino]phenyl]ethyl phosphate?

The IUPAC name of [4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoyl]amino]phenyl]ethyl phosphate (CID 158560122) is [4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoyl]amino]phenyl]ethyl phosphate.

What is the SMILES notation for [4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoyl]amino]phenyl]ethyl phosphate?

The canonical SMILES for [4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoyl]amino]phenyl]ethyl phosphate is CCOP(=O)(OCC)OCCc1ccc(NC(=O)c2ccccc2CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc1.CCOP(=O)(OCC)OCCc1ccc(NC(=O)c2ccccc2OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc1.CCOP(=O)(OCC)OCCc1ccc(NC(=O)c2ccccc2SC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc1.CCOP(=O)(OCC)OCCc1ccc(OC(=O)c2ccccc2CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc1.CCOP(=O)(OCC)OCCc1ccc(OC(=O)c2ccccc2OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc1.CCOP(=O)(OCC)OCCc1ccc(OC(=O)c2ccccc2SC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc1.

What is the InChIKey of [4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoyl]amino]phenyl]ethyl phosphate?

The InChIKey is HQTVXKYJUHNZIP-QQYLQQOPSA-N. The full InChI is InChI=1S/C35H50NO5P.C35H49O6P.C34H48NO6P.C34H48NO5PS.C34H47O7P.C34H47O6PS/c1-7-39-42(38,40-8-2)41-27-26-31-22-24-33(25-23-31)36-35(37)34-21-10-9-19-32(34)20-13-18-30(6)17-12-16-29(5)15-11-14-28(3)4;1-7-38-42(37,39-8-2)40-27-26-31-22-24-33(25-23-31)41-35(36)34-21-10-9-19-32(34)20-13-18-30(6)17-12-16-29(5)15-11-14-28(3)4;1-7-39-42(37,40-8-2)41-26-24-30-19-21-31(22-20-30)35-34(36)32-17-9-10-18-33(32)38-25-23-29(6)16-12-15-28(5)14-11-13-27(3)4;1-7-38-41(37,39-8-2)40-25-23-30-19-21-31(22-20-30)35-34(36)32-17-9-10-18-33(32)42-26-24-29(6)16-12-15-28(5)14-11-13-27(3)4;1-7-38-42(36,39-8-2)40-26-24-30-19-21-31(22-20-30)41-34(35)32-17-9-10-18-33(32)37-25-23-29(6)16-12-15-28(5)14-11-13-27(3)4;1-7-37-41(36,38-8-2)39-25-23-30-19-21-31(22-20-30)40-34(35)32-17-9-10-18-33(32)42-26-24-29(6)16-12-15-28(5)14-11-13-27(3)4/h9-10,14,16,18-19,21-25H,7-8,11-13,15,17,20,26-27H2,1-6H3,(H,36,37);9-10,14,16,18-19,21-25H,7-8,11-13,15,17,20,26-27H2,1-6H3;9-10,13,15,17-23H,7-8,11-12,14,16,24-26H2,1-6H3,(H,35,36);9-10,13,15,17-22,24H,7-8,11-12,14,16,23,25-26H2,1-6H3,(H,35,36);9-10,13,15,17-23H,7-8,11-12,14,16,24-26H2,1-6H3;9-10,13,15,17-22,24H,7-8,11-12,14,16,23,25-26H2,1-6H3/b2*29-16+,30-18+;28-15+,29-23+;28-15+,29-24+;28-15+,29-23+;28-15+,29-24+.

What are the key properties of [4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoyl]amino]phenyl]ethyl phosphate?

[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoyl]amino]phenyl]ethyl phosphate has a molecular weight of 3617.54 g/mol, XLogP of 59.30, 114 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate;[4-(2-diethoxyphosphoryloxyethyl)phenyl] 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoyl]amino]phenyl]ethyl phosphate;diethyl 2-[4-[[2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzoyl]amino]phenyl]ethyl phosphate is sourced from PubChem (CID 158560122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).