[4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate

C47H36O10 — CID 89435955

IUPAC[4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3cccc4c3C3(CC4)CCc4cccc(OC(=O)c5ccc(OC(=O)c6ccc(OC)cc6)cc5)c43)cc2)cc1
InChIInChI=1S/C47H36O10/c1-52-35-17-9-31(10-18-35)43(48)54-37-21-13-33(14-22-37)45(50)56-39-7-3-5-29-25-27-47(41(29)39)28-26-30-6-4-8-40(42(30)47)57-46(51)34-15-23-38(24-16-34)55-44(49)32-11-19-36(53-2)20-12-32/h3-24H,25-28H2,1-2H3
InChIKeyOAHBHUGXTBJTRM-UHFFFAOYSA-N
MW760.79 g/mol
LogP8.76
Rot. Bonds10

About [4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate

[4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate (PubChem CID 89435955) has the molecular formula C47H36O10 and a molecular weight of 760.79 g/mol. Its IUPAC name is [4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate
PubChem CID89435955
Molecular FormulaC47H36O10
Molecular Weight760.79 g/mol
Exact Mass760.23
IUPAC Name[4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3cccc4c3C3(CC4)CCc4cccc(OC(=O)c5ccc(OC(=O)c6ccc(OC)cc6)cc5)c43)cc2)cc1
InChIInChI=1S/C47H36O10/c1-52-35-17-9-31(10-18-35)43(48)54-37-21-13-33(14-22-37)45(50)56-39-7-3-5-29-25-27-47(41(29)39)28-26-30-6-4-8-40(42(30)47)57-46(51)34-15-23-38(24-16-34)55-44(49)32-11-19-36(53-2)20-12-32/h3-24H,25-28H2,1-2H3
InChIKeyOAHBHUGXTBJTRM-UHFFFAOYSA-N
XLogP8.76
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.79
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4'-(6-phenylmethoxynaphthalene-2-carbonyl)oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl] 6-phenylmethoxynaphthalene-2-carboxylate
CID 58894722
methyl 6-phenylmethoxynaphthalene-2-carboxylate;(4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl) 6-phenylmethoxynaphthalene-2-carboxylate
CID 158517346
diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate
CID 144750320
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
[4-[[4'-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenoxy]carbonyloxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyloxy]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate
CID 129257608
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
(4-methoxyphenyl) 3-chloro-4-(4-methoxybenzoyl)oxybenzoate
CID 118425827
[4-[1,2,2-tris[4-(4-methoxybenzoyl)oxyphenyl]ethyl]phenyl] 4-methoxybenzoate
CID 90143826

Frequently Asked Questions

What is the IUPAC name of [4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate?
The IUPAC name of [4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate (CID 89435955) is [4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate?
The canonical SMILES for [4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(C(=O)Oc3cccc4c3C3(CC4)CCc4cccc(OC(=O)c5ccc(OC(=O)c6ccc(OC)cc6)cc5)c43)cc2)cc1.
What is the InChIKey of [4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate?
The InChIKey is OAHBHUGXTBJTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36O10/c1-52-35-17-9-31(10-18-35)43(48)54-37-21-13-33(14-22-37)45(50)56-39-7-3-5-29-25-27-47(41(29)39)28-26-30-6-4-8-40(42(30)47)57-46(51)34-15-23-38(24-16-34)55-44(49)32-11-19-36(53-2)20-12-32/h3-24H,25-28H2,1-2H3.
What are the key properties of [4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate?
[4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate has a molecular weight of 760.79 g/mol, XLogP of 8.76, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 89435955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).