5-(4-butoxyphenyl)-2H-tetrazole

C11H14N4O — CID 3718258

IUPAC5-(4-butoxyphenyl)-2H-tetrazole
SMILESCCCCOc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C11H14N4O/c1-2-3-8-16-10-6-4-9(5-7-10)11-12-14-15-13-11/h4-7H,2-3,8H2,1H3,(H,12,13,14,15)
InChIKeyDDBBWDREHWCNNG-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.05
Rot. Bonds5

About 5-(4-butoxyphenyl)-2H-tetrazole

5-(4-butoxyphenyl)-2H-tetrazole (PubChem CID 3718258) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(4-butoxyphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(4-butoxyphenyl)-2H-tetrazole
PubChem CID3718258
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-(4-butoxyphenyl)-2H-tetrazole
SMILESCCCCOc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C11H14N4O/c1-2-3-8-16-10-6-4-9(5-7-10)11-12-14-15-13-11/h4-7H,2-3,8H2,1H3,(H,12,13,14,15)
InChIKeyDDBBWDREHWCNNG-UHFFFAOYSA-N
XLogP2.05
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-Methoxyphenyl)-2H-tetrazole
CID 307902
3-(4-Methoxyphenyl)-1,2,4,5-tetrazine
CID 824652
2H-Tetrazole-2-propanenitrile, 5-(4-(phenylmethoxy)phenyl)-
CID 3076090
5-(4-Methoxy-benzyl)-2H-tetrazole
CID 793264
5-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazole
CID 601291
2-[5-(4-Methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
CID 83535370
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-isopropyl-2H-tetrazole
CID 2223801
2-(2-Fluoro-benzyl)-5-(4-methoxy-phenyl)-2H-tetrazole
CID 573142
5-(4-propoxybenzyl)-2H-tetrazole
CID 657685
5-(4-Butoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 659660
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-methyl-2H-tetrazole
CID 748005
N,N-dimethyl-5-(4-phenoxyphenyl)tetrazole-2-carboxamide
CID 72197623

Frequently Asked Questions

What is the IUPAC name of 5-(4-butoxyphenyl)-2H-tetrazole?
The IUPAC name of 5-(4-butoxyphenyl)-2H-tetrazole (CID 3718258) is 5-(4-butoxyphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(4-butoxyphenyl)-2H-tetrazole?
The canonical SMILES for 5-(4-butoxyphenyl)-2H-tetrazole is CCCCOc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-(4-butoxyphenyl)-2H-tetrazole?
The InChIKey is DDBBWDREHWCNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-3-8-16-10-6-4-9(5-7-10)11-12-14-15-13-11/h4-7H,2-3,8H2,1H3,(H,12,13,14,15).
What are the key properties of 5-(4-butoxyphenyl)-2H-tetrazole?
5-(4-butoxyphenyl)-2H-tetrazole has a molecular weight of 218.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butoxyphenyl)-2H-tetrazole is sourced from PubChem (CID 3718258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).