5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol

C22H25N3O6 — CID 135597465

IUPAC5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol
SMILESCCOc1ccc(-c2nc(OCCOC)nc(-c3ccc(OCC)cc3O)n2)c(O)c1
InChIInChI=1S/C22H25N3O6/c1-4-29-14-6-8-16(18(26)12-14)20-23-21(25-22(24-20)31-11-10-28-3)17-9-7-15(30-5-2)13-19(17)27/h6-9,12-13,26-27H,4-5,10-11H2,1-3H3
InChIKeyKOEXKVIAHBUXCE-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.44
Rot. Bonds10

About 5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol

5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol (PubChem CID 135597465) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is 5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol
PubChem CID135597465
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC Name5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol
SMILESCCOc1ccc(-c2nc(OCCOC)nc(-c3ccc(OCC)cc3O)n2)c(O)c1
InChIInChI=1S/C22H25N3O6/c1-4-29-14-6-8-16(18(26)12-14)20-23-21(25-22(24-20)31-11-10-28-3)17-9-7-15(30-5-2)13-19(17)27/h6-9,12-13,26-27H,4-5,10-11H2,1-3H3
InChIKeyKOEXKVIAHBUXCE-UHFFFAOYSA-N
XLogP3.44
TPSA116.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol
CID 135597459
2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol
CID 164768740
2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 163676700
2-(4-anthracen-2-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-dodecoxyphenol
CID 164768811
5-dodecoxy-2-(4-dodecoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol
CID 164768607
2-[4,6-bis[2-hydroxy-4-(2-methylbutoxy)phenyl]-1,3,5-triazin-2-yl]-5-(2-methylbutoxy)phenol
CID 135611720
5-ethoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol
CID 164768338
2-fluoro-5-(2-methoxyethoxy)phenol
CID 125116238
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-propoxyphenol
CID 135736962
1-[4-[4-[4-(2-acetyloxyhexoxy)-2-hydroxyphenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]hexan-2-yl acetate;2-[4-(2-ethoxyethoxy)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-(hydroxymethyl)phenol
CID 137153053
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol
CID 137252842
2-[4,6-bis[2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-1,3,5-triazin-2-yl]-5-(oxiran-2-ylmethoxy)phenol
CID 147213170

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol (CID 135597465) is 5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol is CCOc1ccc(-c2nc(OCCOC)nc(-c3ccc(OCC)cc3O)n2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol?
The InChIKey is KOEXKVIAHBUXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-4-29-14-6-8-16(18(26)12-14)20-23-21(25-22(24-20)31-11-10-28-3)17-9-7-15(30-5-2)13-19(17)27/h6-9,12-13,26-27H,4-5,10-11H2,1-3H3.
What are the key properties of 5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol?
5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol has a molecular weight of 427.46 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 135597465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).