5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine

C26H33N3O2 — CID 23154398

IUPAC5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine
SMILESCCCCCC(CC)(CC)Oc1ccccc1-c1cnnnc1-c1ccccc1OC
InChIInChI=1S/C26H33N3O2/c1-5-8-13-18-26(6-2,7-3)31-24-17-12-9-14-20(24)22-19-27-29-28-25(22)21-15-10-11-16-23(21)30-4/h9-12,14-17,19H,5-8,13,18H2,1-4H3
InChIKeyWRXPNRVPDSKKLN-UHFFFAOYSA-N
MW419.57 g/mol
LogP6.73
Rot. Bonds11

About 5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine

5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine (PubChem CID 23154398) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine.

Molecular Properties

Compound Name5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine
PubChem CID23154398
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine
SMILESCCCCCC(CC)(CC)Oc1ccccc1-c1cnnnc1-c1ccccc1OC
InChIInChI=1S/C26H33N3O2/c1-5-8-13-18-26(6-2,7-3)31-24-17-12-9-14-20(24)22-19-27-29-28-25(22)21-15-10-11-16-23(21)30-4/h9-12,14-17,19H,5-8,13,18H2,1-4H3
InChIKeyWRXPNRVPDSKKLN-UHFFFAOYSA-N
XLogP6.73
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-ethyloctan-3-yloxy)phenol;5-methoxy-4-phenyltriazine
CID 160665159
4-(3-ethyloctan-3-yloxy)-2-(3-methylbutyl)phenol;4-(2-methoxyphenyl)triazine
CID 90106626
4-[2-(2,2-diethylheptoxy)phenyl]triazine
CID 175138004
4-(2-methoxyphenyl)triazine;2-(3-methylpentan-3-yloxy)phenol
CID 175017241
4-methoxy-5-phenyltriazine;2-octan-3-yloxyphenol
CID 66601019
1-methoxy-2-(2-methylundecan-2-yl)benzene
CID 56625929
1-methoxy-2-(9-methylnonadecan-9-yl)benzene
CID 135163718
4-(2,3-dioctoxyphenyl)-5-methoxy-6-phenyltriazine
CID 150639751
bis(dodecane);ethane;2-[4-(2-hydroxyphenyl)-6-(2-methoxyphenyl)-1,3,5-triazin-2-yl]phenol;propane
CID 160918309
6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 15764367
3,4-diethyl-2-hexoxyphenol;4-(2-methoxyphenyl)triazine
CID 66902350
3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine
CID 66601021

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine?
The IUPAC name of 5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine (CID 23154398) is 5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine.
What is the SMILES notation for 5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine?
The canonical SMILES for 5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine is CCCCCC(CC)(CC)Oc1ccccc1-c1cnnnc1-c1ccccc1OC.
What is the InChIKey of 5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine?
The InChIKey is WRXPNRVPDSKKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-5-8-13-18-26(6-2,7-3)31-24-17-12-9-14-20(24)22-19-27-29-28-25(22)21-15-10-11-16-23(21)30-4/h9-12,14-17,19H,5-8,13,18H2,1-4H3.
What are the key properties of 5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine?
5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine has a molecular weight of 419.57 g/mol, XLogP of 6.73, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-ethyloctan-3-yloxy)phenyl]-4-(2-methoxyphenyl)triazine is sourced from PubChem (CID 23154398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).