5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole

C12H16N4O — CID 3853694

IUPAC5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole
SMILESCOc1ccc(-c2nn[nH]n2)cc1C(C)(C)C
InChIInChI=1S/C12H16N4O/c1-12(2,3)9-7-8(5-6-10(9)17-4)11-13-15-16-14-11/h5-7H,1-4H3,(H,13,14,15,16)
InChIKeyYJQICZJMABCAKE-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.17
Rot. Bonds2

About 5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole

5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole (PubChem CID 3853694) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole
PubChem CID3853694
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole
SMILESCOc1ccc(-c2nn[nH]n2)cc1C(C)(C)C
InChIInChI=1S/C12H16N4O/c1-12(2,3)9-7-8(5-6-10(9)17-4)11-13-15-16-14-11/h5-7H,1-4H3,(H,13,14,15,16)
InChIKeyYJQICZJMABCAKE-UHFFFAOYSA-N
XLogP2.17
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-4-(2H-tetrazol-5-yl)phenyl] 2,2-dimethylpropanoate
CID 54573821
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
5-(3-tert-butylphenyl)-2H-tetrazole
CID 22972916
5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole
CID 132591862
[5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82133053
4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole
CID 82128672
5-(2,6-dimethoxyphenyl)-2H-tetrazole
CID 10726952
3-(3-tert-butyl-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3521834
5-(3-tert-butyl-4-methoxyphenyl)-3-methyl-1H-pyridazin-6-one
CID 170985844
5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole
CID 82295340
2-propan-2-yloxy-5-(2H-tetrazol-5-yl)aniline
CID 131303852
5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 82479864

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole?
The IUPAC name of 5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole (CID 3853694) is 5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole?
The canonical SMILES for 5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole is COc1ccc(-c2nn[nH]n2)cc1C(C)(C)C.
What is the InChIKey of 5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole?
The InChIKey is YJQICZJMABCAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-12(2,3)9-7-8(5-6-10(9)17-4)11-13-15-16-14-11/h5-7H,1-4H3,(H,13,14,15,16).
What are the key properties of 5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole?
5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole has a molecular weight of 232.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole is sourced from PubChem (CID 3853694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).