[4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate

C152H117NO51 — CID 161374269

IUPAC[4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate
SMILESC=CC(=O)OCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCOC(=O)Oc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/2C26H20O10.C25H17NO7.3C25H20O8/c1-3-23(27)32-16-33-26(30)36-22-10-6-18(7-11-22)25(29)35-21-14-12-20(13-15-21)34-24(28)17-4-8-19(31-2)9-5-17;1-3-23(27)32-16-33-26(30)36-22-14-12-21(13-15-22)35-25(29)18-6-10-20(11-7-18)34-24(28)17-4-8-19(31-2)9-5-17;1-2-23(27)31-16-30-20-11-5-18(6-12-20)24(28)33-22-13-7-19(8-14-22)25(29)32-21-9-3-17(15-26)4-10-21;1-3-23(26)31-16-30-20-8-4-17(5-9-20)24(27)32-21-10-6-18(7-11-21)25(28)33-22-14-12-19(29-2)13-15-22;1-3-23(26)31-16-30-20-12-14-22(15-13-20)33-25(28)18-6-10-21(11-7-18)32-24(27)17-4-8-19(29-2)9-5-17;1-3-23(26)31-16-30-20-10-6-18(7-11-20)25(28)33-22-14-12-21(13-15-22)32-24(27)17-4-8-19(29-2)9-5-17/h2*3-15H,1,16H2,2H3;2-14H,1,16H2;3*3-15H,1,16H2,2H3
InChIKeyVQWHEBIVYGJCOU-UHFFFAOYSA-N
MW2773.56 g/mol
LogP25.33
Rot. Bonds53

About [4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate

[4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate (PubChem CID 161374269) has the molecular formula C152H117NO51 and a molecular weight of 2773.56 g/mol. Its IUPAC name is [4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate
PubChem CID161374269
Molecular FormulaC152H117NO51
Molecular Weight2773.56 g/mol
Exact Mass2771.66
IUPAC Name[4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate
SMILESC=CC(=O)OCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCOC(=O)Oc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/2C26H20O10.C25H17NO7.3C25H20O8/c1-3-23(27)32-16-33-26(30)36-22-10-6-18(7-11-22)25(29)35-21-14-12-20(13-15-21)34-24(28)17-4-8-19(31-2)9-5-17;1-3-23(27)32-16-33-26(30)36-22-14-12-21(13-15-22)35-25(29)18-6-10-20(11-7-18)34-24(28)17-4-8-19(31-2)9-5-17;1-2-23(27)31-16-30-20-11-5-18(6-12-20)24(28)33-22-13-7-19(8-14-22)25(29)32-21-9-3-17(15-26)4-10-21;1-3-23(26)31-16-30-20-8-4-17(5-9-20)24(27)32-21-10-6-18(7-11-21)25(28)33-22-14-12-19(29-2)13-15-22;1-3-23(26)31-16-30-20-12-14-22(15-13-20)33-25(28)18-6-10-21(11-7-18)32-24(27)17-4-8-19(29-2)9-5-17;1-3-23(26)31-16-30-20-10-6-18(7-11-20)25(28)33-22-14-12-21(13-15-22)32-24(27)17-4-8-19(29-2)9-5-17/h2*3-15H,1,16H2,2H3;2-14H,1,16H2;3*3-15H,1,16H2,2H3
InChIKeyVQWHEBIVYGJCOU-UHFFFAOYSA-N
XLogP25.33
TPSA651.32 Ų
H-Bond Donors
H-Bond Acceptors52
Rotatable Bonds53
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002773.56
LogP ≤ 525.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1052

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'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze [4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate with MolForge

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Related Compounds

(4-cyanophenyl) 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate
CID 58234144
(4-methoxycarbonylphenyl) 4-(prop-2-enoyloxymethoxy)benzoate
CID 54225786
(4-cyanophenyl) 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 59768911
tetrakis([4-(4-cyanophenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate);tetrakis([4-(4-cyanophenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate);methane;[4-(4-methylphenyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;bis([4-(4-methylphenyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate)
CID 158733711
[4-(4-ethoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate
CID 118151218
[4-[4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoyl]oxyphenyl] 4-[4-(prop-2-enoyloxymethoxy)phenyl]benzoate
CID 90051323
[4-(4-cyanophenyl)phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;(4-cyanophenyl) 4-(2-prop-2-enoyloxyethoxy)benzoate
CID 162222921
[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-prop-2-enoxybenzoate
CID 129081661
[4-(4-cyanophenyl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 59748502
[4-(7-prop-2-enoyloxyheptoxycarbonyl)phenyl] 4-cyanobenzoate
CID 102401535
[4-(8-prop-2-enoyloxyoctoxycarbonyl)phenyl] 4-cyanobenzoate
CID 102401537
[4-[2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate
CID 59702743

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate?
The IUPAC name of [4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate (CID 161374269) is [4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate?
The canonical SMILES for [4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate is C=CC(=O)OCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCOC(=O)Oc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of [4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate?
The InChIKey is VQWHEBIVYGJCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H20O10.C25H17NO7.3C25H20O8/c1-3-23(27)32-16-33-26(30)36-22-10-6-18(7-11-22)25(29)35-21-14-12-20(13-15-21)34-24(28)17-4-8-19(31-2)9-5-17;1-3-23(27)32-16-33-26(30)36-22-14-12-21(13-15-22)35-25(29)18-6-10-20(11-7-18)34-24(28)17-4-8-19(31-2)9-5-17;1-2-23(27)31-16-30-20-11-5-18(6-12-20)24(28)33-22-13-7-19(8-14-22)25(29)32-21-9-3-17(15-26)4-10-21;1-3-23(26)31-16-30-20-8-4-17(5-9-20)24(27)32-21-10-6-18(7-11-21)25(28)33-22-14-12-19(29-2)13-15-22;1-3-23(26)31-16-30-20-12-14-22(15-13-20)33-25(28)18-6-10-21(11-7-18)32-24(27)17-4-8-19(29-2)9-5-17;1-3-23(26)31-16-30-20-10-6-18(7-11-20)25(28)33-22-14-12-21(13-15-22)32-24(27)17-4-8-19(29-2)9-5-17/h2*3-15H,1,16H2,2H3;2-14H,1,16H2;3*3-15H,1,16H2,2H3.
What are the key properties of [4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate?
[4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate has a molecular weight of 2773.56 g/mol, XLogP of 25.33, 53 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyanophenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-methoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)phenoxy]carbonylphenyl] 4-methoxybenzoate;[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylphenyl] 4-methoxybenzoate is sourced from PubChem (CID 161374269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).