2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol

C24H29N3O2 — CID 141239106

IUPAC2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
SMILESCCCCCCCCOc1ccc(-c2ncnc(-c3ccccc3C)n2)c(O)c1
InChIInChI=1S/C24H29N3O2/c1-3-4-5-6-7-10-15-29-19-13-14-21(22(28)16-19)24-26-17-25-23(27-24)20-12-9-8-11-18(20)2/h8-9,11-14,16-17,28H,3-7,10,15H2,1-2H3
InChIKeyUPVXMGWBFSSDHD-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.96
Rot. Bonds10

About 2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol

2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol (PubChem CID 141239106) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
PubChem CID141239106
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
SMILESCCCCCCCCOc1ccc(-c2ncnc(-c3ccccc3C)n2)c(O)c1
InChIInChI=1S/C24H29N3O2/c1-3-4-5-6-7-10-15-29-19-13-14-21(22(28)16-19)24-26-17-25-23(27-24)20-12-9-8-11-18(20)2/h8-9,11-14,16-17,28H,3-7,10,15H2,1-2H3
InChIKeyUPVXMGWBFSSDHD-UHFFFAOYSA-N
XLogP5.96
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.96
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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Related Compounds

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-methylphenyl)-1,3,5-triazin-2-yl]-5-hexoxyphenol
CID 135581689
2-[4-(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-dodecoxy-2-hydroxypropoxy)phenol
CID 135843595
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
5-dodecoxy-2-(4-dodecoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol
CID 164768607
2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol
CID 137235231
2-(4-anthracen-2-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-dodecoxyphenol
CID 164768811
2-[4,6-bis(4-chlorophenyl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;octane
CID 158984811
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-propoxyphenol
CID 135736962
2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol
CID 135597459

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol?
The IUPAC name of 2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol (CID 141239106) is 2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol.
What is the SMILES notation for 2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol?
The canonical SMILES for 2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol is CCCCCCCCOc1ccc(-c2ncnc(-c3ccccc3C)n2)c(O)c1.
What is the InChIKey of 2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol?
The InChIKey is UPVXMGWBFSSDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-4-5-6-7-10-15-29-19-13-14-21(22(28)16-19)24-26-17-25-23(27-24)20-12-9-8-11-18(20)2/h8-9,11-14,16-17,28H,3-7,10,15H2,1-2H3.
What are the key properties of 2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol?
2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol has a molecular weight of 391.52 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol is sourced from PubChem (CID 141239106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).