5-(5-methyl-2-propan-2-ylphenoxy)-1-phenyltetrazole

C17H18N4O — CID 1252027

IUPAC5-(5-methyl-2-propan-2-ylphenoxy)-1-phenyltetrazole
SMILESCc1ccc(C(C)C)c(Oc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C17H18N4O/c1-12(2)15-10-9-13(3)11-16(15)22-17-18-19-20-21(17)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyHSFLFTOBIAVHCT-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.89
Rot. Bonds4

About 5-(5-methyl-2-propan-2-ylphenoxy)-1-phenyltetrazole

5-(5-methyl-2-propan-2-ylphenoxy)-1-phenyltetrazole (PubChem CID 1252027) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-(5-methyl-2-propan-2-ylphenoxy)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(5-methyl-2-propan-2-ylphenoxy)-1-phenyltetrazole
PubChem CID1252027
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-(5-methyl-2-propan-2-ylphenoxy)-1-phenyltetrazole
SMILESCc1ccc(C(C)C)c(Oc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C17H18N4O/c1-12(2)15-10-9-13(3)11-16(15)22-17-18-19-20-21(17)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyHSFLFTOBIAVHCT-UHFFFAOYSA-N
XLogP3.89
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-propan-2-ylphenoxy)-1-phenyltetrazole?
The IUPAC name of 5-(5-methyl-2-propan-2-ylphenoxy)-1-phenyltetrazole (CID 1252027) is 5-(5-methyl-2-propan-2-ylphenoxy)-1-phenyltetrazole.
What is the SMILES notation for 5-(5-methyl-2-propan-2-ylphenoxy)-1-phenyltetrazole?
The canonical SMILES for 5-(5-methyl-2-propan-2-ylphenoxy)-1-phenyltetrazole is Cc1ccc(C(C)C)c(Oc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 5-(5-methyl-2-propan-2-ylphenoxy)-1-phenyltetrazole?
The InChIKey is HSFLFTOBIAVHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12(2)15-10-9-13(3)11-16(15)22-17-18-19-20-21(17)14-7-5-4-6-8-14/h4-12H,1-3H3.
What are the key properties of 5-(5-methyl-2-propan-2-ylphenoxy)-1-phenyltetrazole?
5-(5-methyl-2-propan-2-ylphenoxy)-1-phenyltetrazole has a molecular weight of 294.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2-propan-2-ylphenoxy)-1-phenyltetrazole is sourced from PubChem (CID 1252027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).