methyl 2-[6-methoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate

C58H50O10 — CID 10418292

IUPACmethyl 2-[6-methoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
SMILESCOC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1-c1c(C(=O)OC)cc(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C58H50O10/c1-61-57(59)47-33-49(63-35-41-21-9-3-10-22-41)53(65-37-43-25-13-5-14-26-43)55(67-39-45-29-17-7-18-30-45)51(47)52-48(58(60)62-2)34-50(64-36-42-23-11-4-12-24-42)54(66-38-44-27-15-6-16-28-44)56(52)68-40-46-31-19-8-20-32-46/h3-34H,35-40H2,1-2H3
InChIKeyHCCXLXLJWXVYIT-UHFFFAOYSA-N
MW907.03 g/mol
LogP12.40
Rot. Bonds21

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

methyl 2-[6-methoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate (PubChem CID 10418292) has the molecular formula C58H50O10 and a molecular weight of 907.03 g/mol. Its IUPAC name is methyl 2-[6-methoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-[6-methoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
PubChem CID10418292
Molecular FormulaC58H50O10
Molecular Weight907.03 g/mol
Exact Mass906.34
IUPAC Namemethyl 2-[6-methoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
SMILESCOC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1-c1c(C(=O)OC)cc(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C58H50O10/c1-61-57(59)47-33-49(63-35-41-21-9-3-10-22-41)53(65-37-43-25-13-5-14-26-43)55(67-39-45-29-17-7-18-30-45)51(47)52-48(58(60)62-2)34-50(64-36-42-23-11-4-12-24-42)54(66-38-44-27-15-6-16-28-44)56(52)68-40-46-31-19-8-20-32-46/h3-34H,35-40H2,1-2H3
InChIKeyHCCXLXLJWXVYIT-UHFFFAOYSA-N
XLogP12.40
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.03
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-methoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate?
The IUPAC name of methyl 2-[6-methoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate (CID 10418292) is methyl 2-[6-methoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate.
What is the SMILES notation for methyl 2-[6-methoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate?
The canonical SMILES for methyl 2-[6-methoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate is COC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1-c1c(C(=O)OC)cc(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1.
What is the InChIKey of methyl 2-[6-methoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate?
The InChIKey is HCCXLXLJWXVYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H50O10/c1-61-57(59)47-33-49(63-35-41-21-9-3-10-22-41)53(65-37-43-25-13-5-14-26-43)55(67-39-45-29-17-7-18-30-45)51(47)52-48(58(60)62-2)34-50(64-36-42-23-11-4-12-24-42)54(66-38-44-27-15-6-16-28-44)56(52)68-40-46-31-19-8-20-32-46/h3-34H,35-40H2,1-2H3.
What are the key properties of methyl 2-[6-methoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate?
methyl 2-[6-methoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate has a molecular weight of 907.03 g/mol, XLogP of 12.40, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-methoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate is sourced from PubChem (CID 10418292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).