3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol

C14H17N3O2 — CID 146455664

IUPAC3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol
SMILESCCCCOc1ccc(-c2ncncn2)c(O)c1C
InChIInChI=1S/C14H17N3O2/c1-3-4-7-19-12-6-5-11(13(18)10(12)2)14-16-8-15-9-17-14/h5-6,8-9,18H,3-4,7H2,1-2H3
InChIKeyORJHLUZMEJABTR-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.73
Rot. Bonds5

About 3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol

3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol (PubChem CID 146455664) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol.

Molecular Properties

Compound Name3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol
PubChem CID146455664
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol
SMILESCCCCOc1ccc(-c2ncncn2)c(O)c1C
InChIInChI=1S/C14H17N3O2/c1-3-4-7-19-12-6-5-11(13(18)10(12)2)14-16-8-15-9-17-14/h5-6,8-9,18H,3-4,7H2,1-2H3
InChIKeyORJHLUZMEJABTR-UHFFFAOYSA-N
XLogP2.73
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
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 3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol?
The IUPAC name of 3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol (CID 146455664) is 3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol.
What is the SMILES notation for 3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol?
The canonical SMILES for 3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol is CCCCOc1ccc(-c2ncncn2)c(O)c1C.
What is the InChIKey of 3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol?
The InChIKey is ORJHLUZMEJABTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-4-7-19-12-6-5-11(13(18)10(12)2)14-16-8-15-9-17-14/h5-6,8-9,18H,3-4,7H2,1-2H3.
What are the key properties of 3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol?
3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol has a molecular weight of 259.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol is sourced from PubChem (CID 146455664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).