(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate

C122H128N4O30 — CID 157432700

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate
SMILESCCCCCCCCCCOCCOCCOCCOCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1.COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1.COc1ccc(C(O)(c2ccccc2)c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1.COc1ccc(C(OCCCO)(c2ccccc2)c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C43H57NO10.C28H27NO7.C26H23NO7.C25H21NO6/c1-3-4-5-6-7-8-9-13-26-49-27-28-50-29-30-51-31-32-52-33-34-53-43(36-14-11-10-12-15-36,38-20-22-39(48-2)23-21-38)37-18-16-35(17-19-37)42(47)54-44-40(45)24-25-41(44)46;1-34-24-14-12-23(13-15-24)28(35-19-5-18-30,21-6-3-2-4-7-21)22-10-8-20(9-11-22)27(33)36-29-25(31)16-17-26(29)32;1-32-21-11-7-19(8-12-21)26(31,20-9-13-22(33-2)14-10-20)18-5-3-17(4-6-18)25(30)34-27-23(28)15-16-24(27)29;1-31-21-13-11-20(12-14-21)25(30,18-5-3-2-4-6-18)19-9-7-17(8-10-19)24(29)32-26-22(27)15-16-23(26)28/h10-12,14-23H,3-9,13,24-34H2,1-2H3;2-4,6-15,30H,5,16-19H2,1H3;3-14,31H,15-16H2,1-2H3;2-14,30H,15-16H2,1H3
InChIKeyBQSQXYHAGARDLF-UHFFFAOYSA-N
MW2130.36 g/mol
LogP17.45
Rot. Bonds51

About (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate

(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate (PubChem CID 157432700) has the molecular formula C122H128N4O30 and a molecular weight of 2130.36 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate
PubChem CID157432700
Molecular FormulaC122H128N4O30
Molecular Weight2130.36 g/mol
Exact Mass2128.86
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate
SMILESCCCCCCCCCCOCCOCCOCCOCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1.COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1.COc1ccc(C(O)(c2ccccc2)c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1.COc1ccc(C(OCCCO)(c2ccccc2)c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C43H57NO10.C28H27NO7.C26H23NO7.C25H21NO6/c1-3-4-5-6-7-8-9-13-26-49-27-28-50-29-30-51-31-32-52-33-34-53-43(36-14-11-10-12-15-36,38-20-22-39(48-2)23-21-38)37-18-16-35(17-19-37)42(47)54-44-40(45)24-25-41(44)46;1-34-24-14-12-23(13-15-24)28(35-19-5-18-30,21-6-3-2-4-7-21)22-10-8-20(9-11-22)27(33)36-29-25(31)16-17-26(29)32;1-32-21-11-7-19(8-12-21)26(31,20-9-13-22(33-2)14-10-20)18-5-3-17(4-6-18)25(30)34-27-23(28)15-16-24(27)29;1-31-21-13-11-20(12-14-21)25(30,18-5-3-2-4-6-18)19-9-7-17(8-10-19)24(29)32-26-22(27)15-16-23(26)28/h10-12,14-23H,3-9,13,24-34H2,1-2H3;2-4,6-15,30H,5,16-19H2,1H3;3-14,31H,15-16H2,1-2H3;2-14,30H,15-16H2,1H3
InChIKeyBQSQXYHAGARDLF-UHFFFAOYSA-N
XLogP17.45
TPSA416.94 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds51
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002130.36
LogP ≤ 517.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate with MolForge

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-(4-methylphenyl)methyl]benzoate
CID 19967587
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526
(2,5-dioxopyrrolidin-1-yl) 4-(4-heptoxyphenyl)benzoate
CID 19969049
(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy(diphenyl)methyl]benzoate;4-[hydroxy(diphenyl)methyl]benzoic acid;1-hydroxypyrrolidine-2,5-dione;methane
CID 162228108
(2R)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-octoxypropane-2-thiol
CID 10051358
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773
S-[(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-octoxypropan-2-yl] octanethioate
CID 135587657
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
(2,5-dioxopyrrolidin-1-yl) 4-[4-[[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]-hydroxy-(4-methoxyphenyl)methyl]phenoxy]butanoate
CID 23069524
[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-octadecoxypropan-2-yl]oxy-dimethylphosphane
CID 118667700
N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide
CID 158860179

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate (CID 157432700) is (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate is CCCCCCCCCCOCCOCCOCCOCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1.COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1.COc1ccc(C(O)(c2ccccc2)c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1.COc1ccc(C(OCCCO)(c2ccccc2)c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate?
The InChIKey is BQSQXYHAGARDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H57NO10.C28H27NO7.C26H23NO7.C25H21NO6/c1-3-4-5-6-7-8-9-13-26-49-27-28-50-29-30-51-31-32-52-33-34-53-43(36-14-11-10-12-15-36,38-20-22-39(48-2)23-21-38)37-18-16-35(17-19-37)42(47)54-44-40(45)24-25-41(44)46;1-34-24-14-12-23(13-15-24)28(35-19-5-18-30,21-6-3-2-4-7-21)22-10-8-20(9-11-22)27(33)36-29-25(31)16-17-26(29)32;1-32-21-11-7-19(8-12-21)26(31,20-9-13-22(33-2)14-10-20)18-5-3-17(4-6-18)25(30)34-27-23(28)15-16-24(27)29;1-31-21-13-11-20(12-14-21)25(30,18-5-3-2-4-6-18)19-9-7-17(8-10-19)24(29)32-26-22(27)15-16-23(26)28/h10-12,14-23H,3-9,13,24-34H2,1-2H3;2-4,6-15,30H,5,16-19H2,1H3;3-14,31H,15-16H2,1-2H3;2-14,30H,15-16H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate?
(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate has a molecular weight of 2130.36 g/mol, XLogP of 17.45, 51 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-bis(4-methoxyphenyl)methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-phenylmethyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxypropoxy-(4-methoxyphenyl)-phenylmethyl]benzoate is sourced from PubChem (CID 157432700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).