[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate

C134H120F4O27 — CID 161263673

IUPAC[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)c(F)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)cc2OC)cc1
InChIInChI=1S/C29H27FO4.C24H22O6.C21H20O5.3C20H17FO4/c1-19(2)28(31)33-17-5-6-21-7-9-22(10-8-21)24-13-16-26(27(30)18-24)23-11-14-25(15-12-23)34-29(32)20(3)4;1-14(2)22(25)28-19-10-7-17(8-11-19)18-9-12-20(29-23(26)15(3)4)21(13-18)30-24(27)16(5)6;1-13(2)20(22)25-16-8-6-15(7-9-16)18-11-10-17(12-19(18)24-5)26-21(23)14(3)4;3*1-12(2)19(22)24-16-8-5-14(6-9-16)15-7-10-18(17(21)11-15)25-20(23)13(3)4/h7-16,18H,1,3,5-6,17H2,2,4H3;7-13H,1,3,5H2,2,4,6H3;6-12H,1,3H2,2,4-5H3;3*5-11H,1,3H2,2,4H3
InChIKeyVCWVKZKLHBXROS-UHFFFAOYSA-N
MW2238.40 g/mol
LogP29.18
Rot. Bonds37

About [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate

[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 161263673) has the molecular formula C134H120F4O27 and a molecular weight of 2238.40 g/mol. Its IUPAC name is [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
PubChem CID161263673
Molecular FormulaC134H120F4O27
Molecular Weight2238.40 g/mol
Exact Mass2236.80
IUPAC Name[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)c(F)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)cc2OC)cc1
InChIInChI=1S/C29H27FO4.C24H22O6.C21H20O5.3C20H17FO4/c1-19(2)28(31)33-17-5-6-21-7-9-22(10-8-21)24-13-16-26(27(30)18-24)23-11-14-25(15-12-23)34-29(32)20(3)4;1-14(2)22(25)28-19-10-7-17(8-11-19)18-9-12-20(29-23(26)15(3)4)21(13-18)30-24(27)16(5)6;1-13(2)20(22)25-16-8-6-15(7-9-16)18-11-10-17(12-19(18)24-5)26-21(23)14(3)4;3*1-12(2)19(22)24-16-8-5-14(6-9-16)15-7-10-18(17(21)11-15)25-20(23)13(3)4/h7-16,18H,1,3,5-6,17H2,2,4H3;7-13H,1,3,5H2,2,4,6H3;6-12H,1,3H2,2,4-5H3;3*5-11H,1,3H2,2,4H3
InChIKeyVCWVKZKLHBXROS-UHFFFAOYSA-N
XLogP29.18
TPSA351.13 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds37
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002238.40
LogP ≤ 529.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

2-[4-[2-fluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 169258521
2-[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate;3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;2-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-[4-(2-methylprop-2-enoyloxy)phenyl]benzoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 159438101
[4-[3-fluoro-4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-methoxyphenyl] 2-methylprop-2-enoate
CID 168727554
3-[4-[3-fluoro-4-[4-(2-methylprop-2-enimidoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate
CID 123401166
3-[4-[3-amino-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate
CID 163691832
2-[4-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 169027213
3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[4-[2-hydroxy-2-methyl-1-(2-methylprop-2-enoyloxy)propyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 172603718
2-[4-[(E)-3-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;2-[4-[(E)-3-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate
CID 160890145
2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 163298238
[4-[3-fluoro-4-[4-(2-methylprop-2-enoxy)-3-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 170075417
[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 20751930
2-[4-[2-fluoro-4-[3-methyl-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 169027175

Frequently Asked Questions

What is the IUPAC name of [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate (CID 161263673) is [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCCc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)c(F)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)cc2OC)cc1.
What is the InChIKey of [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is VCWVKZKLHBXROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FO4.C24H22O6.C21H20O5.3C20H17FO4/c1-19(2)28(31)33-17-5-6-21-7-9-22(10-8-21)24-13-16-26(27(30)18-24)23-11-14-25(15-12-23)34-29(32)20(3)4;1-14(2)22(25)28-19-10-7-17(8-11-19)18-9-12-20(29-23(26)15(3)4)21(13-18)30-24(27)16(5)6;1-13(2)20(22)25-16-8-6-15(7-9-16)18-11-10-17(12-19(18)24-5)26-21(23)14(3)4;3*1-12(2)19(22)24-16-8-5-14(6-9-16)15-7-10-18(17(21)11-15)25-20(23)13(3)4/h7-16,18H,1,3,5-6,17H2,2,4H3;7-13H,1,3,5H2,2,4,6H3;6-12H,1,3H2,2,4-5H3;3*5-11H,1,3H2,2,4H3.
What are the key properties of [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate?
[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 2238.40 g/mol, XLogP of 29.18, 37 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;tris([4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate);3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate;[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 161263673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).