[4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;[4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-cyanophenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(3,4-difluorophenyl)phenoxy]methyl prop-2-enoate;[4-(4-hexoxyphenyl)phenoxy]methyl prop-2-enoate;(4-methoxyphenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-pentylcyclohexyl)phenoxy]methyl prop-2-enoate;[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl prop-2-enoate;[4-(trifluoromethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate

C171H153F8N3O39 — CID 159056807

About [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;[4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-cyanophenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(3,4-difluorophenyl)phenoxy]methyl prop-2-enoate;[4-(4-hexoxyphenyl)phenoxy]methyl prop-2-enoate;(4-methoxyphenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-pentylcyclohexyl)phenoxy]methyl prop-2-enoate;[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl prop-2-enoate;[4-(trifluoromethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate

[4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;[4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-cyanophenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(3,4-difluorophenyl)phenoxy]methyl prop-2-enoate;[4-(4-hexoxyphenyl)phenoxy]methyl prop-2-enoate;(4-methoxyphenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-pentylcyclohexyl)phenoxy]methyl prop-2-enoate;[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl prop-2-enoate;[4-(trifluoromethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate (PubChem CID 159056807) has the molecular formula C171H153F8N3O39 and a molecular weight of 3026.07 g/mol. Its IUPAC name is [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;[4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-cyanophenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(3,4-difluorophenyl)phenoxy]methyl prop-2-enoate;[4-(4-hexoxyphenyl)phenoxy]methyl prop-2-enoate;(4-methoxyphenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-pentylcyclohexyl)phenoxy]methyl prop-2-enoate;[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl prop-2-enoate;[4-(trifluoromethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate.

Molecular Properties

• Compound Name: [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;[4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-cyanophenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(3,4-difluorophenyl)phenoxy]methyl prop-2-enoate;[4-(4-hexoxyphenyl)phenoxy]methyl prop-2-enoate;(4-methoxyphenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-pentylcyclohexyl)phenoxy]methyl prop-2-enoate;[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl prop-2-enoate;[4-(trifluoromethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate
• PubChem CID: 159056807
• Molecular Formula: C171H153F8N3O39
• Molecular Weight: 3026.07 g/mol
• Exact Mass: 3024.00
• IUPAC Name: [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;[4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-cyanophenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(3,4-difluorophenyl)phenoxy]methyl prop-2-enoate;[4-(4-hexoxyphenyl)phenoxy]methyl prop-2-enoate;(4-methoxyphenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-pentylcyclohexyl)phenoxy]methyl prop-2-enoate;[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl prop-2-enoate;[4-(trifluoromethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate
• SMILES: C=CC(=O)OCOc1ccc(-c2ccc(C#N)cc2)cc1.C=CC(=O)OCOc1ccc(-c2ccc(F)c(F)c2)cc1.C=CC(=O)OCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.C=CC(=O)OCOc1ccc(-c2ccc(OCCCCCC)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(F)(F)F)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1.C=CC(=O)OCOc1ccc(C2CCC(CCCCC)CC2)cc1
• InChI: InChI=1S/C24H17NO5.C22H26O4.C21H30O3.C18H13F3O6.C18H13NO5.C18H16O6.C17H13F3O4.C17H13NO3.C16H12F2O3/c1-2-23(26)29-16-28-21-11-9-20(10-12-21)24(27)30-22-13-7-19(8-14-22)18-5-3-17(15-25)4-6-18;1-3-5-6-7-16-24-20-12-8-18(9-13-20)19-10-14-21(15-11-19)25-17-26-22(23)4-2;1-3-5-6-7-17-8-10-18(11-9-17)19-12-14-20(15-13-19)23-16-24-21(22)4-2;1-2-16(22)25-11-24-13-5-3-12(4-6-13)17(23)26-14-7-9-15(10-8-14)27-18(19,20)21;1-2-17(20)23-12-22-15-9-5-14(6-10-15)18(21)24-16-7-3-13(11-19)4-8-16;1-3-17(19)23-12-22-15-6-4-13(5-7-15)18(20)24-16-10-8-14(21-2)9-11-16;1-2-16(21)23-11-22-14-7-3-12(4-8-14)13-5-9-15(10-6-13)24-17(18,19)20;1-2-17(19)21-12-20-16-9-7-15(8-10-16)14-5-3-13(11-18)4-6-14;1-2-16(19)21-10-20-13-6-3-11(4-7-13)12-5-8-14(17)15(18)9-12/h2-14H,1,16H2;4,8-15H,2-3,5-7,16-17H2,1H3;4,12-15,17-18H,2-3,5-11,16H2,1H3;2-10H,1,11H2;2-10H,1,12H2;3-11H,1,12H2,2H3;2-10H,1,11H2;2-10H,1,12H2;2-9H,1,10H2
• InChIKey: JXYPUGCUNYPNKE-UHFFFAOYSA-N
• XLogP: 36.49
• TPSA: 533.26 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 63
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3026.07
LogP ≤ 5	36.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;[4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-cyanophenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(3,4-difluorophenyl)phenoxy]methyl prop-2-enoate;[4-(4-hexoxyphenyl)phenoxy]methyl prop-2-enoate;(4-methoxyphenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-pentylcyclohexyl)phenoxy]methyl prop-2-enoate;[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl prop-2-enoate;[4-(trifluoromethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate?

The IUPAC name of [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;[4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-cyanophenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(3,4-difluorophenyl)phenoxy]methyl prop-2-enoate;[4-(4-hexoxyphenyl)phenoxy]methyl prop-2-enoate;(4-methoxyphenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-pentylcyclohexyl)phenoxy]methyl prop-2-enoate;[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl prop-2-enoate;[4-(trifluoromethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate (CID 159056807) is [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;[4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-cyanophenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(3,4-difluorophenyl)phenoxy]methyl prop-2-enoate;[4-(4-hexoxyphenyl)phenoxy]methyl prop-2-enoate;(4-methoxyphenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-pentylcyclohexyl)phenoxy]methyl prop-2-enoate;[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl prop-2-enoate;[4-(trifluoromethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate.

What is the SMILES notation for [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;[4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-cyanophenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(3,4-difluorophenyl)phenoxy]methyl prop-2-enoate;[4-(4-hexoxyphenyl)phenoxy]methyl prop-2-enoate;(4-methoxyphenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-pentylcyclohexyl)phenoxy]methyl prop-2-enoate;[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl prop-2-enoate;[4-(trifluoromethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate?

The canonical SMILES for [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;[4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-cyanophenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(3,4-difluorophenyl)phenoxy]methyl prop-2-enoate;[4-(4-hexoxyphenyl)phenoxy]methyl prop-2-enoate;(4-methoxyphenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-pentylcyclohexyl)phenoxy]methyl prop-2-enoate;[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl prop-2-enoate;[4-(trifluoromethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate is C=CC(=O)OCOc1ccc(-c2ccc(C#N)cc2)cc1.C=CC(=O)OCOc1ccc(-c2ccc(F)c(F)c2)cc1.C=CC(=O)OCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.C=CC(=O)OCOc1ccc(-c2ccc(OCCCCCC)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(F)(F)F)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1.C=CC(=O)OCOc1ccc(C2CCC(CCCCC)CC2)cc1.

What is the InChIKey of [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;[4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-cyanophenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(3,4-difluorophenyl)phenoxy]methyl prop-2-enoate;[4-(4-hexoxyphenyl)phenoxy]methyl prop-2-enoate;(4-methoxyphenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-pentylcyclohexyl)phenoxy]methyl prop-2-enoate;[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl prop-2-enoate;[4-(trifluoromethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate?

The InChIKey is JXYPUGCUNYPNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO5.C22H26O4.C21H30O3.C18H13F3O6.C18H13NO5.C18H16O6.C17H13F3O4.C17H13NO3.C16H12F2O3/c1-2-23(26)29-16-28-21-11-9-20(10-12-21)24(27)30-22-13-7-19(8-14-22)18-5-3-17(15-25)4-6-18;1-3-5-6-7-16-24-20-12-8-18(9-13-20)19-10-14-21(15-11-19)25-17-26-22(23)4-2;1-3-5-6-7-17-8-10-18(11-9-17)19-12-14-20(15-13-19)23-16-24-21(22)4-2;1-2-16(22)25-11-24-13-5-3-12(4-6-13)17(23)26-14-7-9-15(10-8-14)27-18(19,20)21;1-2-17(20)23-12-22-15-9-5-14(6-10-15)18(21)24-16-7-3-13(11-19)4-8-16;1-3-17(19)23-12-22-15-6-4-13(5-7-15)18(20)24-16-10-8-14(21-2)9-11-16;1-2-16(21)23-11-22-14-7-3-12(4-8-14)13-5-9-15(10-6-13)24-17(18,19)20;1-2-17(19)21-12-20-16-9-7-15(8-10-16)14-5-3-13(11-18)4-6-14;1-2-16(19)21-10-20-13-6-3-11(4-7-13)12-5-8-14(17)15(18)9-12/h2-14H,1,16H2;4,8-15H,2-3,5-7,16-17H2,1H3;4,12-15,17-18H,2-3,5-11,16H2,1H3;2-10H,1,11H2;2-10H,1,12H2;3-11H,1,12H2,2H3;2-10H,1,11H2;2-10H,1,12H2;2-9H,1,10H2.

What are the key properties of [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;[4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-cyanophenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(3,4-difluorophenyl)phenoxy]methyl prop-2-enoate;[4-(4-hexoxyphenyl)phenoxy]methyl prop-2-enoate;(4-methoxyphenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-pentylcyclohexyl)phenoxy]methyl prop-2-enoate;[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl prop-2-enoate;[4-(trifluoromethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate?

[4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;[4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-cyanophenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(3,4-difluorophenyl)phenoxy]methyl prop-2-enoate;[4-(4-hexoxyphenyl)phenoxy]methyl prop-2-enoate;(4-methoxyphenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-pentylcyclohexyl)phenoxy]methyl prop-2-enoate;[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl prop-2-enoate;[4-(trifluoromethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate has a molecular weight of 3026.07 g/mol, XLogP of 36.49, 63 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-cyanophenyl)phenoxy]methyl prop-2-enoate;[4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-cyanophenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(3,4-difluorophenyl)phenoxy]methyl prop-2-enoate;[4-(4-hexoxyphenyl)phenoxy]methyl prop-2-enoate;(4-methoxyphenyl) 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-pentylcyclohexyl)phenoxy]methyl prop-2-enoate;[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl prop-2-enoate;[4-(trifluoromethoxy)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate is sourced from PubChem (CID 159056807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).