2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate

C38H38N8O9 — CID 102143178

IUPAC2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate
SMILESCOc1ccc(-n2nnc(-c3ccc(C(=O)OCCOCCOCCOCCOC(=O)c4ccc(-c5nnn(-c6ccc(OC)cc6)n5)cc4)cc3)n2)cc1
InChIInChI=1S/C38H38N8O9/c1-49-33-15-11-31(12-16-33)45-41-35(39-43-45)27-3-7-29(8-4-27)37(47)54-25-23-52-21-19-51-20-22-53-24-26-55-38(48)30-9-5-28(6-10-30)36-40-44-46(42-36)32-13-17-34(50-2)18-14-32/h3-18H,19-26H2,1-2H3
InChIKeyRUFKXRRCQUKMCN-UHFFFAOYSA-N
MW750.77 g/mol
LogP4.05
Rot. Bonds20

About 2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate

2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate (PubChem CID 102143178) has the molecular formula C38H38N8O9 and a molecular weight of 750.77 g/mol. Its IUPAC name is 2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate.

Molecular Properties

Compound Name2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate
PubChem CID102143178
Molecular FormulaC38H38N8O9
Molecular Weight750.77 g/mol
Exact Mass750.28
IUPAC Name2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate
SMILESCOc1ccc(-n2nnc(-c3ccc(C(=O)OCCOCCOCCOCCOC(=O)c4ccc(-c5nnn(-c6ccc(OC)cc6)n5)cc4)cc3)n2)cc1
InChIInChI=1S/C38H38N8O9/c1-49-33-15-11-31(12-16-33)45-41-35(39-43-45)27-3-7-29(8-4-27)37(47)54-25-23-52-21-19-51-20-22-53-24-26-55-38(48)30-9-5-28(6-10-30)36-40-44-46(42-36)32-13-17-34(50-2)18-14-32/h3-18H,19-26H2,1-2H3
InChIKeyRUFKXRRCQUKMCN-UHFFFAOYSA-N
XLogP4.05
TPSA185.95 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.77
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate?
The IUPAC name of 2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate (CID 102143178) is 2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate.
What is the SMILES notation for 2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate?
The canonical SMILES for 2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate is COc1ccc(-n2nnc(-c3ccc(C(=O)OCCOCCOCCOCCOC(=O)c4ccc(-c5nnn(-c6ccc(OC)cc6)n5)cc4)cc3)n2)cc1.
What is the InChIKey of 2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate?
The InChIKey is RUFKXRRCQUKMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N8O9/c1-49-33-15-11-31(12-16-33)45-41-35(39-43-45)27-3-7-29(8-4-27)37(47)54-25-23-52-21-19-51-20-22-53-24-26-55-38(48)30-9-5-28(6-10-30)36-40-44-46(42-36)32-13-17-34(50-2)18-14-32/h3-18H,19-26H2,1-2H3.
What are the key properties of 2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate?
2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate has a molecular weight of 750.77 g/mol, XLogP of 4.05, 20 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate is sourced from PubChem (CID 102143178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).