2-(3-ethyl-2-hexoxyphenyl)-4-(2-methoxyphenyl)-1,3,5-triazine

C24H29N3O2 — CID 67506987

IUPAC2-(3-ethyl-2-hexoxyphenyl)-4-(2-methoxyphenyl)-1,3,5-triazine
SMILESCCCCCCOc1c(CC)cccc1-c1ncnc(-c2ccccc2OC)n1
InChIInChI=1S/C24H29N3O2/c1-4-6-7-10-16-29-22-18(5-2)12-11-14-20(22)24-26-17-25-23(27-24)19-13-8-9-15-21(19)28-3/h8-9,11-15,17H,4-7,10,16H2,1-3H3
InChIKeyVSOVDZBPYIKIHC-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.74
Rot. Bonds10

About 2-(3-ethyl-2-hexoxyphenyl)-4-(2-methoxyphenyl)-1,3,5-triazine

2-(3-ethyl-2-hexoxyphenyl)-4-(2-methoxyphenyl)-1,3,5-triazine (PubChem CID 67506987) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-(3-ethyl-2-hexoxyphenyl)-4-(2-methoxyphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-ethyl-2-hexoxyphenyl)-4-(2-methoxyphenyl)-1,3,5-triazine
PubChem CID67506987
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-(3-ethyl-2-hexoxyphenyl)-4-(2-methoxyphenyl)-1,3,5-triazine
SMILESCCCCCCOc1c(CC)cccc1-c1ncnc(-c2ccccc2OC)n1
InChIInChI=1S/C24H29N3O2/c1-4-6-7-10-16-29-22-18(5-2)12-11-14-20(22)24-26-17-25-23(27-24)19-13-8-9-15-21(19)28-3/h8-9,11-15,17H,4-7,10,16H2,1-3H3
InChIKeyVSOVDZBPYIKIHC-UHFFFAOYSA-N
XLogP5.74
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(3-ethyl-2-hexoxyphenyl)-4-(2-methoxyphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-ethyl-2-hexoxyphenyl)-4-(2-methoxyphenyl)-1,3,5-triazine (CID 67506987) is 2-(3-ethyl-2-hexoxyphenyl)-4-(2-methoxyphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-ethyl-2-hexoxyphenyl)-4-(2-methoxyphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-ethyl-2-hexoxyphenyl)-4-(2-methoxyphenyl)-1,3,5-triazine is CCCCCCOc1c(CC)cccc1-c1ncnc(-c2ccccc2OC)n1.
What is the InChIKey of 2-(3-ethyl-2-hexoxyphenyl)-4-(2-methoxyphenyl)-1,3,5-triazine?
The InChIKey is VSOVDZBPYIKIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-4-6-7-10-16-29-22-18(5-2)12-11-14-20(22)24-26-17-25-23(27-24)19-13-8-9-15-21(19)28-3/h8-9,11-15,17H,4-7,10,16H2,1-3H3.
What are the key properties of 2-(3-ethyl-2-hexoxyphenyl)-4-(2-methoxyphenyl)-1,3,5-triazine?
2-(3-ethyl-2-hexoxyphenyl)-4-(2-methoxyphenyl)-1,3,5-triazine has a molecular weight of 391.52 g/mol, XLogP of 5.74, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-hexoxyphenyl)-4-(2-methoxyphenyl)-1,3,5-triazine is sourced from PubChem (CID 67506987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).