ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate

C60H54O10 — CID 10396060

IUPACethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
SMILESCCOC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1-c1c(C(=O)OCC)cc(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C60H54O10/c1-3-63-59(61)49-35-51(65-37-43-23-11-5-12-24-43)55(67-39-45-27-15-7-16-28-45)57(69-41-47-31-19-9-20-32-47)53(49)54-50(60(62)64-4-2)36-52(66-38-44-25-13-6-14-26-44)56(68-40-46-29-17-8-18-30-46)58(54)70-42-48-33-21-10-22-34-48/h5-36H,3-4,37-42H2,1-2H3
InChIKeyXSJRLHZLEFNPLR-UHFFFAOYSA-N
MW935.08 g/mol
LogP13.18
Rot. Bonds23

About ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate

ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate (PubChem CID 10396060) has the molecular formula C60H54O10 and a molecular weight of 935.08 g/mol. Its IUPAC name is ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate.

Molecular Properties

Compound Nameethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
PubChem CID10396060
Molecular FormulaC60H54O10
Molecular Weight935.08 g/mol
Exact Mass934.37
IUPAC Nameethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
SMILESCCOC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1-c1c(C(=O)OCC)cc(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C60H54O10/c1-3-63-59(61)49-35-51(65-37-43-23-11-5-12-24-43)55(67-39-45-27-15-7-16-28-45)57(69-41-47-31-19-9-20-32-47)53(49)54-50(60(62)64-4-2)36-52(66-38-44-25-13-6-14-26-44)56(68-40-46-29-17-8-18-30-46)58(54)70-42-48-33-21-10-22-34-48/h5-36H,3-4,37-42H2,1-2H3
InChIKeyXSJRLHZLEFNPLR-UHFFFAOYSA-N
XLogP13.18
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.08
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate with MolForge

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Related Compounds

4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
diethyl 2-(8-hydroxyoctoxy)-5-phenylmethoxybenzene-1,4-dicarboxylate
CID 134215432
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
ethyl 6-bromo-4-phenylmethoxypyridine-3-carboxylate
CID 59477910
ethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate
CID 24813447
3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid
CID 175815077
diethyl 3-hydroxy-4-phenylmethoxythiophene-2,5-dicarboxylate
CID 54676787
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate
CID 147669047
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate?
The IUPAC name of ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate (CID 10396060) is ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate.
What is the SMILES notation for ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate?
The canonical SMILES for ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate is CCOC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1-c1c(C(=O)OCC)cc(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1.
What is the InChIKey of ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate?
The InChIKey is XSJRLHZLEFNPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54O10/c1-3-63-59(61)49-35-51(65-37-43-23-11-5-12-24-43)55(67-39-45-27-15-7-16-28-45)57(69-41-47-31-19-9-20-32-47)53(49)54-50(60(62)64-4-2)36-52(66-38-44-25-13-6-14-26-44)56(68-40-46-29-17-8-18-30-46)58(54)70-42-48-33-21-10-22-34-48/h5-36H,3-4,37-42H2,1-2H3.
What are the key properties of ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate?
ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate has a molecular weight of 935.08 g/mol, XLogP of 13.18, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate is sourced from PubChem (CID 10396060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).