2-[4-(4-methoxyphenyl)butyl]tetrazole

C12H16N4O — CID 142575856

IUPAC2-[4-(4-methoxyphenyl)butyl]tetrazole
SMILESCOc1ccc(CCCCn2ncnn2)cc1
InChIInChI=1S/C12H16N4O/c1-17-12-7-5-11(6-8-12)4-2-3-9-16-14-10-13-15-16/h5-8,10H,2-4,9H2,1H3
InChIKeyIQLPZQHUFCZTMY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.70
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)butyl]tetrazole

2-[4-(4-methoxyphenyl)butyl]tetrazole (PubChem CID 142575856) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)butyl]tetrazole.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)butyl]tetrazole
PubChem CID142575856
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[4-(4-methoxyphenyl)butyl]tetrazole
SMILESCOc1ccc(CCCCn2ncnn2)cc1
InChIInChI=1S/C12H16N4O/c1-17-12-7-5-11(6-8-12)4-2-3-9-16-14-10-13-15-16/h5-8,10H,2-4,9H2,1H3
InChIKeyIQLPZQHUFCZTMY-UHFFFAOYSA-N
XLogP1.70
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
6-(4-methoxyphenyl)hexane-1-thiol
CID 10799192
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
5-(4-methoxyphenyl)pentanamide
CID 134389506
ethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine
CID 142108516
1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene
CID 139457109

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)butyl]tetrazole?
The IUPAC name of 2-[4-(4-methoxyphenyl)butyl]tetrazole (CID 142575856) is 2-[4-(4-methoxyphenyl)butyl]tetrazole.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)butyl]tetrazole?
The canonical SMILES for 2-[4-(4-methoxyphenyl)butyl]tetrazole is COc1ccc(CCCCn2ncnn2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)butyl]tetrazole?
The InChIKey is IQLPZQHUFCZTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-17-12-7-5-11(6-8-12)4-2-3-9-16-14-10-13-15-16/h5-8,10H,2-4,9H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)butyl]tetrazole?
2-[4-(4-methoxyphenyl)butyl]tetrazole has a molecular weight of 232.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)butyl]tetrazole is sourced from PubChem (CID 142575856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).