4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate

C144H173N5O27 — CID 173104471

IUPAC4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCOc1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1OC.C=C(C)C(=O)OCCCCCCCCOc1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1.C=C(C)C(=O)OCCCCCCCCOc1ccc(C=C(C#N)c2ccccc2)cc1OC.C=C(C)C(=O)OCCCCCCOc1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1OC.C=C(C)C(=O)OCCCCOc1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C33H43NO6.C29H35NO5.C28H33NO6.C28H33NO4.C26H29NO6/c1-25(2)33(35)40-20-14-12-10-8-6-7-9-11-13-19-39-30-17-15-26(22-31(30)37-4)21-28(24-34)27-16-18-29(36-3)32(23-27)38-5;1-22(2)29(31)35-18-10-8-6-5-7-9-17-34-26-14-11-23(12-15-26)19-25(21-30)24-13-16-27(32-3)28(20-24)33-4;1-20(2)28(30)35-15-9-7-6-8-14-34-25-12-10-21(17-26(25)32-4)16-23(19-29)22-11-13-24(31-3)27(18-22)33-5;1-22(2)28(30)33-18-12-7-5-4-6-11-17-32-26-16-15-23(20-27(26)31-3)19-25(21-29)24-13-9-8-10-14-24;1-18(2)26(28)33-13-7-6-12-32-23-10-8-19(15-24(23)30-4)14-21(17-27)20-9-11-22(29-3)25(16-20)31-5/h15-18,21-23H,1,6-14,19-20H2,2-5H3;11-16,19-20H,1,5-10,17-18H2,2-4H3;10-13,16-18H,1,6-9,14-15H2,2-5H3;8-10,13-16,19-20H,1,4-7,11-12,17-18H2,2-3H3;8-11,14-16H,1,6-7,12-13H2,2-5H3
InChIKeyGYLAGGSVWMQOJY-UHFFFAOYSA-N
MW2405.98 g/mol
LogP31.88
Rot. Bonds74

About 4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate

4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate (PubChem CID 173104471) has the molecular formula C144H173N5O27 and a molecular weight of 2405.98 g/mol. Its IUPAC name is 4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate
PubChem CID173104471
Molecular FormulaC144H173N5O27
Molecular Weight2405.98 g/mol
Exact Mass2404.23
IUPAC Name4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCOc1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1OC.C=C(C)C(=O)OCCCCCCCCOc1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1.C=C(C)C(=O)OCCCCCCCCOc1ccc(C=C(C#N)c2ccccc2)cc1OC.C=C(C)C(=O)OCCCCCCOc1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1OC.C=C(C)C(=O)OCCCCOc1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C33H43NO6.C29H35NO5.C28H33NO6.C28H33NO4.C26H29NO6/c1-25(2)33(35)40-20-14-12-10-8-6-7-9-11-13-19-39-30-17-15-26(22-31(30)37-4)21-28(24-34)27-16-18-29(36-3)32(23-27)38-5;1-22(2)29(31)35-18-10-8-6-5-7-9-17-34-26-14-11-23(12-15-26)19-25(21-30)24-13-16-27(32-3)28(20-24)33-4;1-20(2)28(30)35-15-9-7-6-8-14-34-25-12-10-21(17-26(25)32-4)16-23(19-29)22-11-13-24(31-3)27(18-22)33-5;1-22(2)28(30)33-18-12-7-5-4-6-11-17-32-26-16-15-23(20-27(26)31-3)19-25(21-29)24-13-9-8-10-14-24;1-18(2)26(28)33-13-7-6-12-32-23-10-8-19(15-24(23)30-4)14-21(17-27)20-9-11-22(29-3)25(16-20)31-5/h15-18,21-23H,1,6-14,19-20H2,2-5H3;11-16,19-20H,1,5-10,17-18H2,2-4H3;10-13,16-18H,1,6-9,14-15H2,2-5H3;8-10,13-16,19-20H,1,4-7,11-12,17-18H2,2-3H3;8-11,14-16H,1,6-7,12-13H2,2-5H3
InChIKeyGYLAGGSVWMQOJY-UHFFFAOYSA-N
XLogP31.88
TPSA407.36 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds74
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002405.98
LogP ≤ 531.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate with MolForge

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Related Compounds

6-[4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate
CID 69129946
6-[4-[(Z)-2-cyano-2-(3,4-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate
CID 89420089
8-[4-[2-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenoxy]octyl 2-methylprop-2-enoate
CID 69129585
11-[4-[2-cyano-2-[3,4-di(propan-2-yloxy)phenyl]ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate
CID 123810925
12-[4-(2-cyano-2-naphthalen-2-ylethenyl)phenoxy]dodecyl 2-methylprop-2-enoate
CID 72575313
11-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate
CID 90271439
(E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enenitrile
CID 7126688
2-(3,4-dimethoxyphenyl)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enenitrile
CID 4296561
1-[2-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]ethyl 2-methylprop-2-enoate
CID 68721467
[4-[(E)-2-cyano-2-phenylethenyl]-2-methoxyphenyl] 4-(4-methoxyphenoxy)butanoate
CID 39114322
4-[4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2,2-dimethylbutanoate
CID 59839096
[4-[(E)-2-cyano-2-phenylethenyl]phenyl] 3,4-dimethoxybenzoate
CID 39112650

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate?
The IUPAC name of 4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate (CID 173104471) is 4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate?
The canonical SMILES for 4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCOc1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1OC.C=C(C)C(=O)OCCCCCCCCOc1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1.C=C(C)C(=O)OCCCCCCCCOc1ccc(C=C(C#N)c2ccccc2)cc1OC.C=C(C)C(=O)OCCCCCCOc1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1OC.C=C(C)C(=O)OCCCCOc1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate?
The InChIKey is GYLAGGSVWMQOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43NO6.C29H35NO5.C28H33NO6.C28H33NO4.C26H29NO6/c1-25(2)33(35)40-20-14-12-10-8-6-7-9-11-13-19-39-30-17-15-26(22-31(30)37-4)21-28(24-34)27-16-18-29(36-3)32(23-27)38-5;1-22(2)29(31)35-18-10-8-6-5-7-9-17-34-26-14-11-23(12-15-26)19-25(21-30)24-13-16-27(32-3)28(20-24)33-4;1-20(2)28(30)35-15-9-7-6-8-14-34-25-12-10-21(17-26(25)32-4)16-23(19-29)22-11-13-24(31-3)27(18-22)33-5;1-22(2)28(30)33-18-12-7-5-4-6-11-17-32-26-16-15-23(20-27(26)31-3)19-25(21-29)24-13-9-8-10-14-24;1-18(2)26(28)33-13-7-6-12-32-23-10-8-19(15-24(23)30-4)14-21(17-27)20-9-11-22(29-3)25(16-20)31-5/h15-18,21-23H,1,6-14,19-20H2,2-5H3;11-16,19-20H,1,5-10,17-18H2,2-4H3;10-13,16-18H,1,6-9,14-15H2,2-5H3;8-10,13-16,19-20H,1,4-7,11-12,17-18H2,2-3H3;8-11,14-16H,1,6-7,12-13H2,2-5H3.
What are the key properties of 4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate?
4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate has a molecular weight of 2405.98 g/mol, XLogP of 31.88, 74 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]butyl 2-methylprop-2-enoate;6-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate;11-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate;8-[4-[2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenoxy]octyl 2-methylprop-2-enoate;8-[4-(2-cyano-2-phenylethenyl)-2-methoxyphenoxy]octyl 2-methylprop-2-enoate is sourced from PubChem (CID 173104471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).