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

C16H24N4O — CID 55390454

IUPAC1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole
SMILESCCCCn1nnnc1COc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H24N4O/c1-5-6-9-20-16(17-18-19-20)11-21-15-10-14(12(2)3)8-7-13(15)4/h7-8,10,12H,5-6,9,11H2,1-4H3
InChIKeyVEKZFOKCKJYLNN-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.48
Rot. Bonds7

About 1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole

1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole (PubChem CID 55390454) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole.

Molecular Properties

Compound Name1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole
PubChem CID55390454
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole
SMILESCCCCn1nnnc1COc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H24N4O/c1-5-6-9-20-16(17-18-19-20)11-21-15-10-14(12(2)3)8-7-13(15)4/h7-8,10,12H,5-6,9,11H2,1-4H3
InChIKeyVEKZFOKCKJYLNN-UHFFFAOYSA-N
XLogP3.48
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole
CID 103866206
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
3-[(1-butyltetrazol-5-yl)methoxy]-4-methoxybenzaldehyde
CID 102604048
1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 80998222
1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine
CID 67918317
2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 78959342
4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 80999468
4-[5-[(2,3-dimethylphenoxy)methyl]tetrazol-1-yl]butan-1-amine
CID 84759019
(1-propyltetrazol-5-yl)methyl 2-(4-propan-2-ylphenoxy)acetate
CID 55402641
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole?
The IUPAC name of 1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole (CID 55390454) is 1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole.
What is the SMILES notation for 1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole?
The canonical SMILES for 1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole is CCCCn1nnnc1COc1cc(C(C)C)ccc1C.
What is the InChIKey of 1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole?
The InChIKey is VEKZFOKCKJYLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-6-9-20-16(17-18-19-20)11-21-15-10-14(12(2)3)8-7-13(15)4/h7-8,10,12H,5-6,9,11H2,1-4H3.
What are the key properties of 1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole?
1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole has a molecular weight of 288.39 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole is sourced from PubChem (CID 55390454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).