5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole

C16H13Cl3N4O2 — CID 3785156

IUPAC5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole
SMILESCOCCOc1cc(-n2nnnc2-c2ccccc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N4O2/c1-24-6-7-25-15-9-14(12(18)8-13(15)19)23-16(20-21-22-23)10-4-2-3-5-11(10)17/h2-5,8-9H,6-7H2,1H3
InChIKeyHCOXWFXMWIAERW-UHFFFAOYSA-N
MW399.67 g/mol
LogP4.31
Rot. Bonds6

About 5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole

5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole (PubChem CID 3785156) has the molecular formula C16H13Cl3N4O2 and a molecular weight of 399.67 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole
PubChem CID3785156
Molecular FormulaC16H13Cl3N4O2
Molecular Weight399.67 g/mol
Exact Mass398.01
IUPAC Name5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole
SMILESCOCCOc1cc(-n2nnnc2-c2ccccc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N4O2/c1-24-6-7-25-15-9-14(12(18)8-13(15)19)23-16(20-21-22-23)10-4-2-3-5-11(10)17/h2-5,8-9H,6-7H2,1H3
InChIKeyHCOXWFXMWIAERW-UHFFFAOYSA-N
XLogP4.31
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.67
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole 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 5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole?
The IUPAC name of 5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole (CID 3785156) is 5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole?
The canonical SMILES for 5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole is COCCOc1cc(-n2nnnc2-c2ccccc2Cl)c(Cl)cc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole?
The InChIKey is HCOXWFXMWIAERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N4O2/c1-24-6-7-25-15-9-14(12(18)8-13(15)19)23-16(20-21-22-23)10-4-2-3-5-11(10)17/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole?
5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole has a molecular weight of 399.67 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]tetrazole is sourced from PubChem (CID 3785156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).