2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole

C15H22N4O — CID 132970662

IUPAC2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole
SMILESCC(C)c1cccc(OCc2nnn(C(C)(C)C)n2)c1
InChIInChI=1S/C15H22N4O/c1-11(2)12-7-6-8-13(9-12)20-10-14-16-18-19(17-14)15(3,4)5/h6-9,11H,10H2,1-5H3
InChIKeyDNWNQIBYWJCZAX-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.13
Rot. Bonds4

About 2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole

2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole (PubChem CID 132970662) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole
PubChem CID132970662
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole
SMILESCC(C)c1cccc(OCc2nnn(C(C)(C)C)n2)c1
InChIInChI=1S/C15H22N4O/c1-11(2)12-7-6-8-13(9-12)20-10-14-16-18-19(17-14)15(3,4)5/h6-9,11H,10H2,1-5H3
InChIKeyDNWNQIBYWJCZAX-UHFFFAOYSA-N
XLogP3.13
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041075
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80503642
tert-butyl-[2-(3-propan-2-ylphenoxy)ethyl]azanium
CID 2263110
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 77063290
ethane;2-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
5-[(3-bromophenoxy)methyl]-2-methyltetrazole
CID 107043105
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole?
The IUPAC name of 2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole (CID 132970662) is 2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole.
What is the SMILES notation for 2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole?
The canonical SMILES for 2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole is CC(C)c1cccc(OCc2nnn(C(C)(C)C)n2)c1.
What is the InChIKey of 2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole?
The InChIKey is DNWNQIBYWJCZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)12-7-6-8-13(9-12)20-10-14-16-18-19(17-14)15(3,4)5/h6-9,11H,10H2,1-5H3.
What are the key properties of 2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole?
2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole has a molecular weight of 274.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole is sourced from PubChem (CID 132970662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).