2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine

C15H15N3O3 — CID 71407181

IUPAC2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
SMILESC=CCOc1nc(OCC=C)nc(Oc2ccccc2)n1
InChIInChI=1S/C15H15N3O3/c1-3-10-19-13-16-14(20-11-4-2)18-15(17-13)21-12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKeySXZZDJCUUZAYRC-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.79
Rot. Bonds8

About 2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine

2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine (PubChem CID 71407181) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
PubChem CID71407181
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
SMILESC=CCOc1nc(OCC=C)nc(Oc2ccccc2)n1
InChIInChI=1S/C15H15N3O3/c1-3-10-19-13-16-14(20-11-4-2)18-15(17-13)21-12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKeySXZZDJCUUZAYRC-UHFFFAOYSA-N
XLogP2.79
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
The IUPAC name of 2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine (CID 71407181) is 2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine.
What is the SMILES notation for 2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
The canonical SMILES for 2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine is C=CCOc1nc(OCC=C)nc(Oc2ccccc2)n1.
What is the InChIKey of 2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
The InChIKey is SXZZDJCUUZAYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-3-10-19-13-16-14(20-11-4-2)18-15(17-13)21-12-8-6-5-7-9-12/h3-9H,1-2,10-11H2.
What are the key properties of 2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine has a molecular weight of 285.30 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine is sourced from PubChem (CID 71407181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).