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

C19H19N3O3 — CID 163676700

IUPAC2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol
SMILESCCCCOc1nc(-c2ccccc2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C19H19N3O3/c1-2-3-12-25-19-21-17(13-8-4-6-10-15(13)23)20-18(22-19)14-9-5-7-11-16(14)24/h4-11,23-24H,2-3,12H2,1H3
InChIKeyJHHDNGCJBGDYFJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.80
Rot. Bonds6

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

2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol (PubChem CID 163676700) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol
PubChem CID163676700
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol
SMILESCCCCOc1nc(-c2ccccc2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C19H19N3O3/c1-2-3-12-25-19-21-17(13-8-4-6-10-15(13)23)20-18(22-19)14-9-5-7-11-16(14)24/h4-11,23-24H,2-3,12H2,1H3
InChIKeyJHHDNGCJBGDYFJ-UHFFFAOYSA-N
XLogP3.80
TPSA88.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
5-dodecoxy-2-(4-dodecoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol
CID 164768607
2-(4-dodecoxy-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl)phenol
CID 164768332
bis(dodecane);ethane;2-[4-(2-hydroxyphenyl)-6-(2-methoxyphenyl)-1,3,5-triazin-2-yl]phenol;propane
CID 160918309
2-(4-anthracen-2-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-dodecoxyphenol
CID 164768811
2-(4-chrysen-6-yl-6-hexoxy-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 164768489
4-(4-anthracen-9-yl-6-propoxy-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 164768390
2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 141239106
5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol
CID 135597465
2-butoxybenzene-1,3-diol
CID 101011168
2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 135621952
2-(4,6-dibenzyl-1,3,5-triazin-2-yl)-5-hexoxyphenol
CID 151805631

Frequently Asked Questions

What is the IUPAC name of 2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol (CID 163676700) is 2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol is CCCCOc1nc(-c2ccccc2O)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol?
The InChIKey is JHHDNGCJBGDYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-3-12-25-19-21-17(13-8-4-6-10-15(13)23)20-18(22-19)14-9-5-7-11-16(14)24/h4-11,23-24H,2-3,12H2,1H3.
What are the key properties of 2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol?
2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol has a molecular weight of 337.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 163676700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).