2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole

C19H21ClN4O — CID 2526533

IUPAC2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole
SMILESCC(C)(C)c1ccc(OCCn2nnc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H21ClN4O/c1-19(2,3)15-6-10-17(11-7-15)25-13-12-24-22-18(21-23-24)14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3
InChIKeyVHRDUCKZFSQEDE-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.37
Rot. Bonds5

About 2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole

2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole (PubChem CID 2526533) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole
PubChem CID2526533
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole
SMILESCC(C)(C)c1ccc(OCCn2nnc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H21ClN4O/c1-19(2,3)15-6-10-17(11-7-15)25-13-12-24-22-18(21-23-24)14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3
InChIKeyVHRDUCKZFSQEDE-UHFFFAOYSA-N
XLogP4.37
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole
CID 18286516
N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 8598220
N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide
CID 24557123
(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
CID 32768070
4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 24558209
5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole
CID 7490330
5-tert-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-amine
CID 79542486
5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole
CID 9397244
5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole
CID 3166741
methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate
CID 55841019
2-(4-tert-butylphenyl)-1-[3-(4-chlorophenoxy)propyl]benzimidazole
CID 84571493
4-[5-(4-pentoxyphenyl)tetrazol-2-yl]butanoic acid
CID 135209195

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole?
The IUPAC name of 2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole (CID 2526533) is 2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole.
What is the SMILES notation for 2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole?
The canonical SMILES for 2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole is CC(C)(C)c1ccc(OCCn2nnc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole?
The InChIKey is VHRDUCKZFSQEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-19(2,3)15-6-10-17(11-7-15)25-13-12-24-22-18(21-23-24)14-4-8-16(20)9-5-14/h4-11H,12-13H2,1-3H3.
What are the key properties of 2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole?
2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole has a molecular weight of 356.86 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole is sourced from PubChem (CID 2526533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).