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

C15H12Cl2N4O2 — CID 46814565

IUPAC1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole
SMILESClc1ccc(OCCOc2ccc(-n3cnnn3)cc2)c(Cl)c1
InChIInChI=1S/C15H12Cl2N4O2/c16-11-1-6-15(14(17)9-11)23-8-7-22-13-4-2-12(3-5-13)21-10-18-19-20-21/h1-6,9-10H,7-8H2
InChIKeyQNLXOCVPWQENLM-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.43
Rot. Bonds6

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

1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole (PubChem CID 46814565) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole.

Molecular Properties

Compound Name1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole
PubChem CID46814565
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC Name1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole
SMILESClc1ccc(OCCOc2ccc(-n3cnnn3)cc2)c(Cl)c1
InChIInChI=1S/C15H12Cl2N4O2/c16-11-1-6-15(14(17)9-11)23-8-7-22-13-4-2-12(3-5-13)21-10-18-19-20-21/h1-6,9-10H,7-8H2
InChIKeyQNLXOCVPWQENLM-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'}

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Related Compounds

1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole
CID 7697447
N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709053
[4-(tetrazol-1-yl)phenyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 4815623
[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 20992565
1-(3-chloro-4-phenoxyphenyl)tetrazole
CID 16765570
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113
2-[4-(tetrazol-1-yl)phenoxy]acetonitrile
CID 8566130
5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole
CID 17398436
2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione
CID 8566135
1-(4-chloro-3-fluorophenyl)tetrazole
CID 91105491
(2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate
CID 23012898
2-(2,5-dichlorophenyl)sulfanylethyl 4-(tetrazol-1-yl)benzoate
CID 7715845

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole?
The IUPAC name of 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole (CID 46814565) is 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole.
What is the SMILES notation for 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole?
The canonical SMILES for 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole is Clc1ccc(OCCOc2ccc(-n3cnnn3)cc2)c(Cl)c1.
What is the InChIKey of 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole?
The InChIKey is QNLXOCVPWQENLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2/c16-11-1-6-15(14(17)9-11)23-8-7-22-13-4-2-12(3-5-13)21-10-18-19-20-21/h1-6,9-10H,7-8H2.
What are the key properties of 1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole?
1-[4-[2-(2,4-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-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole is sourced from PubChem (CID 46814565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).