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

C23H27N3O5 — CID 135597459

IUPAC2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol
SMILESCCCCOc1nc(-c2ccc(OCC)cc2O)nc(-c2ccc(OCC)cc2O)n1
InChIInChI=1S/C23H27N3O5/c1-4-7-12-31-23-25-21(17-10-8-15(29-5-2)13-19(17)27)24-22(26-23)18-11-9-16(30-6-3)14-20(18)28/h8-11,13-14,27-28H,4-7,12H2,1-3H3
InChIKeyIEZGLQLYKGRESO-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.59
Rot. Bonds10

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

2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol (PubChem CID 135597459) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol.

Molecular Properties

Compound Name2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol
PubChem CID135597459
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol
SMILESCCCCOc1nc(-c2ccc(OCC)cc2O)nc(-c2ccc(OCC)cc2O)n1
InChIInChI=1S/C23H27N3O5/c1-4-7-12-31-23-25-21(17-10-8-15(29-5-2)13-19(17)27)24-22(26-23)18-11-9-16(30-6-3)14-20(18)28/h8-11,13-14,27-28H,4-7,12H2,1-3H3
InChIKeyIEZGLQLYKGRESO-UHFFFAOYSA-N
XLogP4.59
TPSA106.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol
CID 135597465
2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 163676700
5-dodecoxy-2-(4-dodecoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol
CID 164768607
2-(4-anthracen-2-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-dodecoxyphenol
CID 164768811
2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol
CID 164768740
5-ethoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol
CID 164768338
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-hexoxyphenol
CID 135581689
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-tridecoxyphenol
CID 135828198
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 161357419
2-[4,6-bis(4-chlorophenyl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;octane
CID 158984811
2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol
CID 137235231
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-propoxyphenol
CID 135736962

Frequently Asked Questions

What is the IUPAC name of 2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol?
The IUPAC name of 2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol (CID 135597459) is 2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol.
What is the SMILES notation for 2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol?
The canonical SMILES for 2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol is CCCCOc1nc(-c2ccc(OCC)cc2O)nc(-c2ccc(OCC)cc2O)n1.
What is the InChIKey of 2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol?
The InChIKey is IEZGLQLYKGRESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-4-7-12-31-23-25-21(17-10-8-15(29-5-2)13-19(17)27)24-22(26-23)18-11-9-16(30-6-3)14-20(18)28/h8-11,13-14,27-28H,4-7,12H2,1-3H3.
What are the key properties of 2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol?
2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol has a molecular weight of 425.49 g/mol, XLogP of 4.59, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol is sourced from PubChem (CID 135597459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).