[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate

C108H97NO35 — CID 162033233

IUPAC[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate
SMILESC=CC(=O)NCc1ccc(C(=O)c2cc(OC(COC(=O)C=C)OC(=O)C=C)ccc2OCC(COC(=O)C=C)OC(=O)C=C)cc1.C=CC(=O)OCC(COc1ccc(OC(COC(=O)C=C)OC(=O)C=C)cc1C(=O)c1ccc(C)cc1)OC(=O)C=C.C=CC(=O)OCc1ccc(C(=O)c2cc(OC(=O)C=C)ccc2OC(=O)C=C)cc1.C=CC(=O)Oc1ccc(OC(=O)C=C)c(C(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C34H33NO12.C31H30O11.C23H18O7.C20H16O5/c1-6-28(36)35-18-22-11-13-23(14-12-22)34(41)26-17-24(46-33(47-32(40)10-5)21-44-30(38)8-3)15-16-27(26)42-19-25(45-31(39)9-4)20-43-29(37)7-2;1-6-26(32)38-18-23(40-28(34)8-3)17-37-25-15-14-22(16-24(25)31(36)21-12-10-20(5)11-13-21)41-30(42-29(35)9-4)19-39-27(33)7-2;1-4-20(24)28-14-15-7-9-16(10-8-15)23(27)18-13-17(29-21(25)5-2)11-12-19(18)30-22(26)6-3;1-4-18(21)24-15-10-11-17(25-19(22)5-2)16(12-15)20(23)14-8-6-13(3)7-9-14/h6-17,25,33H,1-5,18-21H2,(H,35,36);6-16,23,30H,1-4,17-19H2,5H3;4-13H,1-3,14H2;4-12H,1-2H2,3H3
InChIKeyYWHQCCKOQBDXKA-UHFFFAOYSA-N
MW1968.94 g/mol
LogP13.42
Rot. Bonds52

About [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate

[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate (PubChem CID 162033233) has the molecular formula C108H97NO35 and a molecular weight of 1968.94 g/mol. Its IUPAC name is [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate
PubChem CID162033233
Molecular FormulaC108H97NO35
Molecular Weight1968.94 g/mol
Exact Mass1967.58
IUPAC Name[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate
SMILESC=CC(=O)NCc1ccc(C(=O)c2cc(OC(COC(=O)C=C)OC(=O)C=C)ccc2OCC(COC(=O)C=C)OC(=O)C=C)cc1.C=CC(=O)OCC(COc1ccc(OC(COC(=O)C=C)OC(=O)C=C)cc1C(=O)c1ccc(C)cc1)OC(=O)C=C.C=CC(=O)OCc1ccc(C(=O)c2cc(OC(=O)C=C)ccc2OC(=O)C=C)cc1.C=CC(=O)Oc1ccc(OC(=O)C=C)c(C(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C34H33NO12.C31H30O11.C23H18O7.C20H16O5/c1-6-28(36)35-18-22-11-13-23(14-12-22)34(41)26-17-24(46-33(47-32(40)10-5)21-44-30(38)8-3)15-16-27(26)42-19-25(45-31(39)9-4)20-43-29(37)7-2;1-6-26(32)38-18-23(40-28(34)8-3)17-37-25-15-14-22(16-24(25)31(36)21-12-10-20(5)11-13-21)41-30(42-29(35)9-4)19-39-27(33)7-2;1-4-20(24)28-14-15-7-9-16(10-8-15)23(27)18-13-17(29-21(25)5-2)11-12-19(18)30-22(26)6-3;1-4-18(21)24-15-10-11-17(25-19(22)5-2)16(12-15)20(23)14-8-6-13(3)7-9-14/h6-17,25,33H,1-5,18-21H2,(H,35,36);6-16,23,30H,1-4,17-19H2,5H3;4-13H,1-3,14H2;4-12H,1-2H2,3H3
InChIKeyYWHQCCKOQBDXKA-UHFFFAOYSA-N
XLogP13.42
TPSA476.20 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds52
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001968.94
LogP ≤ 513.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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'}

Analyze [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate with MolForge

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Related Compounds

[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate
CID 118069099
4-[2,3-di(prop-2-enoyloxy)propoxy]benzoic acid
CID 122419882
[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate
CID 171722962
(2-benzoyl-4-methylphenyl) prop-2-enoate
CID 89073800
[3-phenoxy-2-[[3-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl] prop-2-enoate
CID 89212097
[3-[4-[4-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenyl]sulfanylphenyl]sulfanylphenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate
CID 59739137
[3-methyl-4-[3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl] 3-[4-(prop-2-enoyloxymethyl)phenyl]propanoate
CID 59222169
[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]methyl 2,5-bis[[4-(12-prop-2-enoyloxydodecoxy)benzoyl]oxy]benzoate
CID 23355754
[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl]methyl 2,5-bis[[4-(9-prop-2-enoyloxynonoxy)benzoyl]oxy]benzoate
CID 23355783
[4-[4-(prop-2-enoyloxymethyl)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethyl)benzoate
CID 20718187
[2-methyl-4-[4-(1-prop-2-enoyloxydodecoxy)benzoyl]oxyphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate
CID 153438758
4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]butyl prop-2-enoate;10-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]decyl prop-2-enoate;bis(2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]ethyl prop-2-enoate);[3-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;3-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenoxy]propyl prop-2-enoate;2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]ethyl prop-2-enoate;N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]prop-2-enamide;2-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]ethyl prop-2-enoate;[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 162006237

Frequently Asked Questions

What is the IUPAC name of [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate?
The IUPAC name of [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate (CID 162033233) is [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate.
What is the SMILES notation for [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate?
The canonical SMILES for [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate is C=CC(=O)NCc1ccc(C(=O)c2cc(OC(COC(=O)C=C)OC(=O)C=C)ccc2OCC(COC(=O)C=C)OC(=O)C=C)cc1.C=CC(=O)OCC(COc1ccc(OC(COC(=O)C=C)OC(=O)C=C)cc1C(=O)c1ccc(C)cc1)OC(=O)C=C.C=CC(=O)OCc1ccc(C(=O)c2cc(OC(=O)C=C)ccc2OC(=O)C=C)cc1.C=CC(=O)Oc1ccc(OC(=O)C=C)c(C(=O)c2ccc(C)cc2)c1.
What is the InChIKey of [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate?
The InChIKey is YWHQCCKOQBDXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33NO12.C31H30O11.C23H18O7.C20H16O5/c1-6-28(36)35-18-22-11-13-23(14-12-22)34(41)26-17-24(46-33(47-32(40)10-5)21-44-30(38)8-3)15-16-27(26)42-19-25(45-31(39)9-4)20-43-29(37)7-2;1-6-26(32)38-18-23(40-28(34)8-3)17-37-25-15-14-22(16-24(25)31(36)21-12-10-20(5)11-13-21)41-30(42-29(35)9-4)19-39-27(33)7-2;1-4-20(24)28-14-15-7-9-16(10-8-15)23(27)18-13-17(29-21(25)5-2)11-12-19(18)30-22(26)6-3;1-4-18(21)24-15-10-11-17(25-19(22)5-2)16(12-15)20(23)14-8-6-13(3)7-9-14/h6-17,25,33H,1-5,18-21H2,(H,35,36);6-16,23,30H,1-4,17-19H2,5H3;4-13H,1-3,14H2;4-12H,1-2H2,3H3.
What are the key properties of [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate?
[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate has a molecular weight of 1968.94 g/mol, XLogP of 13.42, 52 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-(4-methylbenzoyl)phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-[4-[1,2-di(prop-2-enoyloxy)ethoxy]-2-[4-[(prop-2-enoylamino)methyl]benzoyl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[3-(4-methylbenzoyl)-4-prop-2-enoyloxyphenyl] prop-2-enoate is sourced from PubChem (CID 162033233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).