1-phenoxy-5-(3-phenoxyprop-2-enyl)tetrazole

C16H14N4O2 — CID 70599435

IUPAC1-phenoxy-5-(3-phenoxyprop-2-enyl)tetrazole
SMILESC(=COc1ccccc1)Cc1nnnn1Oc1ccccc1
InChIInChI=1S/C16H14N4O2/c1-3-8-14(9-4-1)21-13-7-12-16-17-18-19-20(16)22-15-10-5-2-6-11-15/h1-11,13H,12H2
InChIKeyCAAZUYJYJONQCJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.65
Rot. Bonds6

About 1-phenoxy-5-(3-phenoxyprop-2-enyl)tetrazole

1-phenoxy-5-(3-phenoxyprop-2-enyl)tetrazole (PubChem CID 70599435) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-phenoxy-5-(3-phenoxyprop-2-enyl)tetrazole.

Molecular Properties

Compound Name1-phenoxy-5-(3-phenoxyprop-2-enyl)tetrazole
PubChem CID70599435
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name1-phenoxy-5-(3-phenoxyprop-2-enyl)tetrazole
SMILESC(=COc1ccccc1)Cc1nnnn1Oc1ccccc1
InChIInChI=1S/C16H14N4O2/c1-3-8-14(9-4-1)21-13-7-12-16-17-18-19-20(16)22-15-10-5-2-6-11-15/h1-11,13H,12H2
InChIKeyCAAZUYJYJONQCJ-UHFFFAOYSA-N
XLogP2.65
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-5-(3-phenoxyprop-2-enyl)tetrazole?
The IUPAC name of 1-phenoxy-5-(3-phenoxyprop-2-enyl)tetrazole (CID 70599435) is 1-phenoxy-5-(3-phenoxyprop-2-enyl)tetrazole.
What is the SMILES notation for 1-phenoxy-5-(3-phenoxyprop-2-enyl)tetrazole?
The canonical SMILES for 1-phenoxy-5-(3-phenoxyprop-2-enyl)tetrazole is C(=COc1ccccc1)Cc1nnnn1Oc1ccccc1.
What is the InChIKey of 1-phenoxy-5-(3-phenoxyprop-2-enyl)tetrazole?
The InChIKey is CAAZUYJYJONQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-3-8-14(9-4-1)21-13-7-12-16-17-18-19-20(16)22-15-10-5-2-6-11-15/h1-11,13H,12H2.
What are the key properties of 1-phenoxy-5-(3-phenoxyprop-2-enyl)tetrazole?
1-phenoxy-5-(3-phenoxyprop-2-enyl)tetrazole has a molecular weight of 294.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-5-(3-phenoxyprop-2-enyl)tetrazole is sourced from PubChem (CID 70599435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).