1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride

C52H55ClN2O11 — CID 161492417

IUPAC1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride
SMILESC=C(C)C(=O)Cl.C=C(C)C(=O)Oc1ccc(C(C)CC2C(=O)N(c3ccc(OC(=O)C(=C)C)cc3)C(=O)C2C)cc1.CC(CC1C(=O)N(c2ccc(O)cc2)C(=O)C1C)c1ccc(O)cc1
InChIInChI=1S/C28H29NO6.C20H21NO4.C4H5ClO/c1-16(2)27(32)34-22-11-7-20(8-12-22)18(5)15-24-19(6)25(30)29(26(24)31)21-9-13-23(14-10-21)35-28(33)17(3)4;1-12(14-3-7-16(22)8-4-14)11-18-13(2)19(24)21(20(18)25)15-5-9-17(23)10-6-15;1-3(2)4(5)6/h7-14,18-19,24H,1,3,15H2,2,4-6H3;3-10,12-13,18,22-23H,11H2,1-2H3;1H2,2H3
InChIKeyWFUFJLYUDFQCDC-UHFFFAOYSA-N
MW919.47 g/mol
LogP9.71
Rot. Bonds13

About 1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride

1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride (PubChem CID 161492417) has the molecular formula C52H55ClN2O11 and a molecular weight of 919.47 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride
PubChem CID161492417
Molecular FormulaC52H55ClN2O11
Molecular Weight919.47 g/mol
Exact Mass918.35
IUPAC Name1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride
SMILESC=C(C)C(=O)Cl.C=C(C)C(=O)Oc1ccc(C(C)CC2C(=O)N(c3ccc(OC(=O)C(=C)C)cc3)C(=O)C2C)cc1.CC(CC1C(=O)N(c2ccc(O)cc2)C(=O)C1C)c1ccc(O)cc1
InChIInChI=1S/C28H29NO6.C20H21NO4.C4H5ClO/c1-16(2)27(32)34-22-11-7-20(8-12-22)18(5)15-24-19(6)25(30)29(26(24)31)21-9-13-23(14-10-21)35-28(33)17(3)4;1-12(14-3-7-16(22)8-4-14)11-18-13(2)19(24)21(20(18)25)15-5-9-17(23)10-6-15;1-3(2)4(5)6/h7-14,18-19,24H,1,3,15H2,2,4-6H3;3-10,12-13,18,22-23H,11H2,1-2H3;1H2,2H3
InChIKeyWFUFJLYUDFQCDC-UHFFFAOYSA-N
XLogP9.71
TPSA184.89 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.47
LogP ≤ 59.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride?
The IUPAC name of 1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride (CID 161492417) is 1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride is C=C(C)C(=O)Cl.C=C(C)C(=O)Oc1ccc(C(C)CC2C(=O)N(c3ccc(OC(=O)C(=C)C)cc3)C(=O)C2C)cc1.CC(CC1C(=O)N(c2ccc(O)cc2)C(=O)C1C)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride?
The InChIKey is WFUFJLYUDFQCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO6.C20H21NO4.C4H5ClO/c1-16(2)27(32)34-22-11-7-20(8-12-22)18(5)15-24-19(6)25(30)29(26(24)31)21-9-13-23(14-10-21)35-28(33)17(3)4;1-12(14-3-7-16(22)8-4-14)11-18-13(2)19(24)21(20(18)25)15-5-9-17(23)10-6-15;1-3(2)4(5)6/h7-14,18-19,24H,1,3,15H2,2,4-6H3;3-10,12-13,18,22-23H,11H2,1-2H3;1H2,2H3.
What are the key properties of 1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride?
1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride has a molecular weight of 919.47 g/mol, XLogP of 9.71, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;[4-[1-[4-methyl-1-[4-(2-methylprop-2-enoyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl]propan-2-yl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride is sourced from PubChem (CID 161492417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).