1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole

C15H12Cl2N4O2 — CID 18079355

IUPAC1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole
SMILESClc1cccc(Cl)c1OCCOc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H12Cl2N4O2/c16-13-2-1-3-14(17)15(13)23-9-8-22-12-6-4-11(5-7-12)21-10-18-19-20-21/h1-7,10H,8-9H2
InChIKeyACCGXKVXCYUCAI-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.43
Rot. Bonds6

About 1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole

1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole (PubChem CID 18079355) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole.

Molecular Properties

Compound Name1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole
PubChem CID18079355
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC Name1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole
SMILESClc1cccc(Cl)c1OCCOc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H12Cl2N4O2/c16-13-2-1-3-14(17)15(13)23-9-8-22-12-6-4-11(5-7-12)21-10-18-19-20-21/h1-7,10H,8-9H2
InChIKeyACCGXKVXCYUCAI-UHFFFAOYSA-N
XLogP3.43
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-[2-(2,6-dichlorophenoxy)ethoxy]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

Related Compounds

1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole
CID 46814565
N-(2,3-dichlorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 1135809
1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole
CID 7697447
2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione
CID 8566135
2-[4-(tetrazol-1-yl)phenoxy]acetonitrile
CID 8566130
2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine
CID 16764721
2-[4-[4-(tetrazol-1-yl)phenoxy]butyl]isoindole-1,3-dione
CID 67598186
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 46795479
2-[3-(tetrazol-1-yl)phenoxy]ethanamine
CID 45157260
N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709053
3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one
CID 46484033
N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide
CID 37363321

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole?
The IUPAC name of 1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole (CID 18079355) is 1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole.
What is the SMILES notation for 1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole?
The canonical SMILES for 1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole is Clc1cccc(Cl)c1OCCOc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole?
The InChIKey is ACCGXKVXCYUCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2/c16-13-2-1-3-14(17)15(13)23-9-8-22-12-6-4-11(5-7-12)21-10-18-19-20-21/h1-7,10H,8-9H2.
What are the key properties of 1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole?
1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole has a molecular weight of 351.19 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole is sourced from PubChem (CID 18079355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).