5-[(4-methylphenoxy)methyl]-1-phenyltetrazole

C15H14N4O — CID 2947414

IUPAC5-[(4-methylphenoxy)methyl]-1-phenyltetrazole
SMILESCc1ccc(OCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H14N4O/c1-12-7-9-14(10-8-12)20-11-15-16-17-18-19(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeySLPOHMVMCZWHDR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.55
Rot. Bonds4

About 5-[(4-methylphenoxy)methyl]-1-phenyltetrazole

5-[(4-methylphenoxy)methyl]-1-phenyltetrazole (PubChem CID 2947414) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[(4-methylphenoxy)methyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(4-methylphenoxy)methyl]-1-phenyltetrazole
PubChem CID2947414
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-[(4-methylphenoxy)methyl]-1-phenyltetrazole
SMILESCc1ccc(OCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H14N4O/c1-12-7-9-14(10-8-12)20-11-15-16-17-18-19(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeySLPOHMVMCZWHDR-UHFFFAOYSA-N
XLogP2.55
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenoxy)methyl]-1-phenyltetrazole?
The IUPAC name of 5-[(4-methylphenoxy)methyl]-1-phenyltetrazole (CID 2947414) is 5-[(4-methylphenoxy)methyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[(4-methylphenoxy)methyl]-1-phenyltetrazole?
The canonical SMILES for 5-[(4-methylphenoxy)methyl]-1-phenyltetrazole is Cc1ccc(OCc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 5-[(4-methylphenoxy)methyl]-1-phenyltetrazole?
The InChIKey is SLPOHMVMCZWHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-12-7-9-14(10-8-12)20-11-15-16-17-18-19(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 5-[(4-methylphenoxy)methyl]-1-phenyltetrazole?
5-[(4-methylphenoxy)methyl]-1-phenyltetrazole has a molecular weight of 266.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenoxy)methyl]-1-phenyltetrazole is sourced from PubChem (CID 2947414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).