5-(4-methoxyphenoxy)-1-phenyltetrazole

C14H12N4O2 — CID 839324

IUPAC5-(4-methoxyphenoxy)-1-phenyltetrazole
SMILESCOc1ccc(Oc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C14H12N4O2/c1-19-12-7-9-13(10-8-12)20-14-15-16-17-18(14)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeySUTBEHZLUBNRES-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.46
Rot. Bonds4

About 5-(4-methoxyphenoxy)-1-phenyltetrazole

5-(4-methoxyphenoxy)-1-phenyltetrazole (PubChem CID 839324) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-(4-methoxyphenoxy)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(4-methoxyphenoxy)-1-phenyltetrazole
PubChem CID839324
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name5-(4-methoxyphenoxy)-1-phenyltetrazole
SMILESCOc1ccc(Oc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C14H12N4O2/c1-19-12-7-9-13(10-8-12)20-14-15-16-17-18(14)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeySUTBEHZLUBNRES-UHFFFAOYSA-N
XLogP2.46
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenoxy)-1-phenyltetrazole?
The IUPAC name of 5-(4-methoxyphenoxy)-1-phenyltetrazole (CID 839324) is 5-(4-methoxyphenoxy)-1-phenyltetrazole.
What is the SMILES notation for 5-(4-methoxyphenoxy)-1-phenyltetrazole?
The canonical SMILES for 5-(4-methoxyphenoxy)-1-phenyltetrazole is COc1ccc(Oc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenoxy)-1-phenyltetrazole?
The InChIKey is SUTBEHZLUBNRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-19-12-7-9-13(10-8-12)20-14-15-16-17-18(14)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 5-(4-methoxyphenoxy)-1-phenyltetrazole?
5-(4-methoxyphenoxy)-1-phenyltetrazole has a molecular weight of 268.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenoxy)-1-phenyltetrazole is sourced from PubChem (CID 839324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).