2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine

C26H41N3O2 — CID 150774956

IUPAC2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine
SMILESCCCCCCCCCCCCCCCCOc1ncnc(OCc2ccccc2)n1
InChIInChI=1S/C26H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-30-25-27-23-28-26(29-25)31-22-24-19-16-15-17-20-24/h15-17,19-20,23H,2-14,18,21-22H2,1H3
InChIKeyKARACHONGWRFIU-UHFFFAOYSA-N
MW427.63 g/mol
LogP7.31
Rot. Bonds19

About 2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine

2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine (PubChem CID 150774956) has the molecular formula C26H41N3O2 and a molecular weight of 427.63 g/mol. Its IUPAC name is 2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine
PubChem CID150774956
Molecular FormulaC26H41N3O2
Molecular Weight427.63 g/mol
Exact Mass427.32
IUPAC Name2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine
SMILESCCCCCCCCCCCCCCCCOc1ncnc(OCc2ccccc2)n1
InChIInChI=1S/C26H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-30-25-27-23-28-26(29-25)31-22-24-19-16-15-17-20-24/h15-17,19-20,23H,2-14,18,21-22H2,1H3
InChIKeyKARACHONGWRFIU-UHFFFAOYSA-N
XLogP7.31
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.63
LogP ≤ 57.31
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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Related Compounds

phenoxymethylbenzene;tetradecane
CID 175006528
2-decoxy-4-prop-2-enoxy-1,3,5-triazine
CID 175353487
dodecylperoxymethylbenzene
CID 88509810
2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine
CID 139880669
azane;hexoxymethylbenzene
CID 174805489
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene
CID 123962900
4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene
CID 139095510
formaldehyde;octoxymethylbenzene;tungsten
CID 173433681

Frequently Asked Questions

What is the IUPAC name of 2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine?
The IUPAC name of 2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine (CID 150774956) is 2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine.
What is the SMILES notation for 2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine?
The canonical SMILES for 2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine is CCCCCCCCCCCCCCCCOc1ncnc(OCc2ccccc2)n1.
What is the InChIKey of 2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine?
The InChIKey is KARACHONGWRFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-30-25-27-23-28-26(29-25)31-22-24-19-16-15-17-20-24/h15-17,19-20,23H,2-14,18,21-22H2,1H3.
What are the key properties of 2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine?
2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine has a molecular weight of 427.63 g/mol, XLogP of 7.31, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine is sourced from PubChem (CID 150774956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).