[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate

C133H119FO30 — CID 157348787

About [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate

[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate (PubChem CID 157348787) has the molecular formula C133H119FO30 and a molecular weight of 2216.38 g/mol. Its IUPAC name is [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate.

Molecular Properties

• Compound Name: [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate
• PubChem CID: 157348787
• Molecular Formula: C133H119FO30
• Molecular Weight: 2216.38 g/mol
• Exact Mass: 2214.78
• IUPAC Name: [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate
• SMILES: C=C(C)C(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCCc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(OC(=O)C=C)cc3)c(F)c2)cc1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(-c3ccc(OC(=O)C=C)cc3)cc2)c(CCC)c1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C=C)cc2)cc1
• InChI: InChI=1S/C32H30O6.C29H23FO6.C25H24O6.C24H22O6.C23H20O6/c1-4-7-27-22-24(20-21-36-30(33)5-2)10-18-29(27)38-32(35)19-11-23-8-12-25(13-9-23)26-14-16-28(17-15-26)37-31(34)6-3;1-3-27(31)34-18-17-21-7-5-20(6-8-21)9-16-29(33)36-24-14-15-25(26(30)19-24)22-10-12-23(13-11-22)35-28(32)4-2;1-17(2)24(27)29-16-15-20-7-10-21(11-8-20)30-23(26)14-9-19-5-12-22(13-6-19)31-25(28)18(3)4;1-4-22(25)28-16-15-19-7-10-20(11-8-19)29-23(26)14-9-18-5-12-21(13-6-18)30-24(27)17(2)3;1-3-21(24)27-16-15-18-7-12-20(13-8-18)29-23(26)14-9-17-5-10-19(11-6-17)28-22(25)4-2/h5-6,8-19,22H,2-4,7,20-21H2,1H3;3-16,19H,1-2,17-18H2;5-14H,1,3,15-16H2,2,4H3;4-14H,1-2,15-16H2,3H3;3-14H,1-2,15-16H2/b19-11+;16-9+;3*14-9+
• InChIKey: BHHBDCIYSBWWNR-OXOFHLRVSA-N
• XLogP: 23.94
• TPSA: 394.50 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 49
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2216.38
LogP ≤ 5	23.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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 [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate?

The IUPAC name of [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate (CID 157348787) is [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate.

What is the SMILES notation for [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate?

The canonical SMILES for [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate is C=C(C)C(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCCc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(OC(=O)C=C)cc3)c(F)c2)cc1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(-c3ccc(OC(=O)C=C)cc3)cc2)c(CCC)c1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCCc1ccc(OC(=O)/C=C/c2ccc(OC(=O)C=C)cc2)cc1.

What is the InChIKey of [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate?

The InChIKey is BHHBDCIYSBWWNR-OXOFHLRVSA-N. The full InChI is InChI=1S/C32H30O6.C29H23FO6.C25H24O6.C24H22O6.C23H20O6/c1-4-7-27-22-24(20-21-36-30(33)5-2)10-18-29(27)38-32(35)19-11-23-8-12-25(13-9-23)26-14-16-28(17-15-26)37-31(34)6-3;1-3-27(31)34-18-17-21-7-5-20(6-8-21)9-16-29(33)36-24-14-15-25(26(30)19-24)22-10-12-23(13-11-22)35-28(32)4-2;1-17(2)24(27)29-16-15-20-7-10-21(11-8-20)30-23(26)14-9-19-5-12-22(13-6-19)31-25(28)18(3)4;1-4-22(25)28-16-15-19-7-10-20(11-8-19)29-23(26)14-9-18-5-12-21(13-6-18)30-24(27)17(2)3;1-3-21(24)27-16-15-18-7-12-20(13-8-18)29-23(26)14-9-17-5-10-19(11-6-17)28-22(25)4-2/h5-6,8-19,22H,2-4,7,20-21H2,1H3;3-16,19H,1-2,17-18H2;5-14H,1,3,15-16H2,2,4H3;4-14H,1-2,15-16H2,3H3;3-14H,1-2,15-16H2/b19-11+;16-9+;3*14-9+.

What are the key properties of [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate?

[3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate has a molecular weight of 2216.38 g/mol, XLogP of 23.94, 49 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [3-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl] (E)-3-[4-(2-prop-2-enoyloxyethyl)phenyl]prop-2-enoate;2-[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenyl]prop-2-enoyl]oxyphenyl]ethyl 2-methylprop-2-enoate;[4-[(E)-3-oxo-3-[4-(2-prop-2-enoyloxyethyl)phenoxy]prop-1-enyl]phenyl] 2-methylprop-2-enoate;[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate;[4-(2-prop-2-enoyloxyethyl)-2-propylphenyl] (E)-3-[4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate is sourced from PubChem (CID 157348787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).