5-methoxy-4-phenyltriazine;2-octoxyphenol

C24H31N3O3 — CID 66769842

IUPAC5-methoxy-4-phenyltriazine;2-octoxyphenol
SMILESCCCCCCCCOc1ccccc1O.COc1cnnnc1-c1ccccc1
InChIInChI=1S/C14H22O2.C10H9N3O/c1-2-3-4-5-6-9-12-16-14-11-8-7-10-13(14)15;1-14-9-7-11-13-12-10(9)8-5-3-2-4-6-8/h7-8,10-11,15H,2-6,9,12H2,1H3;2-7H,1H3
InChIKeyGWLIMASWVZIFGX-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.68
Rot. Bonds10

About 5-methoxy-4-phenyltriazine;2-octoxyphenol

5-methoxy-4-phenyltriazine;2-octoxyphenol (PubChem CID 66769842) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 5-methoxy-4-phenyltriazine;2-octoxyphenol.

Molecular Properties

Compound Name5-methoxy-4-phenyltriazine;2-octoxyphenol
PubChem CID66769842
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name5-methoxy-4-phenyltriazine;2-octoxyphenol
SMILESCCCCCCCCOc1ccccc1O.COc1cnnnc1-c1ccccc1
InChIInChI=1S/C14H22O2.C10H9N3O/c1-2-3-4-5-6-9-12-16-14-11-8-7-10-13(14)15;1-14-9-7-11-13-12-10(9)8-5-3-2-4-6-8/h7-8,10-11,15H,2-6,9,12H2,1H3;2-7H,1H3
InChIKeyGWLIMASWVZIFGX-UHFFFAOYSA-N
XLogP5.68
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-phenyltriazine;2-octoxyphenol?
The IUPAC name of 5-methoxy-4-phenyltriazine;2-octoxyphenol (CID 66769842) is 5-methoxy-4-phenyltriazine;2-octoxyphenol.
What is the SMILES notation for 5-methoxy-4-phenyltriazine;2-octoxyphenol?
The canonical SMILES for 5-methoxy-4-phenyltriazine;2-octoxyphenol is CCCCCCCCOc1ccccc1O.COc1cnnnc1-c1ccccc1.
What is the InChIKey of 5-methoxy-4-phenyltriazine;2-octoxyphenol?
The InChIKey is GWLIMASWVZIFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2.C10H9N3O/c1-2-3-4-5-6-9-12-16-14-11-8-7-10-13(14)15;1-14-9-7-11-13-12-10(9)8-5-3-2-4-6-8/h7-8,10-11,15H,2-6,9,12H2,1H3;2-7H,1H3.
What are the key properties of 5-methoxy-4-phenyltriazine;2-octoxyphenol?
5-methoxy-4-phenyltriazine;2-octoxyphenol has a molecular weight of 409.53 g/mol, XLogP of 5.68, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-phenyltriazine;2-octoxyphenol is sourced from PubChem (CID 66769842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).