4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol

C23H19N3O4 — CID 143193670

IUPAC4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc(OC)c1O
InChIInChI=1S/C23H19N3O4/c1-29-18-12-15(13-19(30-2)20(18)28)22-24-21(14-8-4-3-5-9-14)25-23(26-22)16-10-6-7-11-17(16)27/h3-13,27-28H,1-2H3
InChIKeyMCYMVGGSFKCCKL-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.30
Rot. Bonds5

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

4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol (PubChem CID 143193670) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol
PubChem CID143193670
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc(OC)c1O
InChIInChI=1S/C23H19N3O4/c1-29-18-12-15(13-19(30-2)20(18)28)22-24-21(14-8-4-3-5-9-14)25-23(26-22)16-10-6-7-11-17(16)27/h3-13,27-28H,1-2H3
InChIKeyMCYMVGGSFKCCKL-UHFFFAOYSA-N
XLogP4.30
TPSA97.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 135975716
2-[4-(2-methoxyphenyl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]phenol
CID 154527419
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane
CID 136651088
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
CID 135975715
2-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-6-methoxyphenol;2-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-6-methylphenol;2-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol;5-methoxy-2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol;2-[4-(2-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol;2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 159572582
5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 135597460
4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;2-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;2-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;2-[4,6-bis(2-methoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(2-methoxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 162105145
2-[4,6-bis(2-methoxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3,4-dimethoxy-5-prop-1-ynoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol;2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol;2-(4-phenoxy-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 160930847
2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol
CID 136621403
2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
CID 136603035
4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 136946080

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol (CID 143193670) is 4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol is COc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc(OC)c1O.
What is the InChIKey of 4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol?
The InChIKey is MCYMVGGSFKCCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-29-18-12-15(13-19(30-2)20(18)28)22-24-21(14-8-4-3-5-9-14)25-23(26-22)16-10-6-7-11-17(16)27/h3-13,27-28H,1-2H3.
What are the key properties of 4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol?
4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol has a molecular weight of 401.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-dimethoxyphenol is sourced from PubChem (CID 143193670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).