4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol

C22H17N3O5 — CID 136946080

IUPAC4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(O)cc3O)n2)c(O)c1
InChIInChI=1S/C22H17N3O5/c1-30-13-7-9-16(19(29)11-13)22-24-20(14-4-2-3-5-17(14)27)23-21(25-22)15-8-6-12(26)10-18(15)28/h2-11,26-29H,1H3
InChIKeyJDWURJBACUMFGL-UHFFFAOYSA-N
MW403.39 g/mol
LogP3.70
Rot. Bonds4

About 4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol

4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol (PubChem CID 136946080) has the molecular formula C22H17N3O5 and a molecular weight of 403.39 g/mol. Its IUPAC name is 4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
PubChem CID136946080
Molecular FormulaC22H17N3O5
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC Name4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(O)cc3O)n2)c(O)c1
InChIInChI=1S/C22H17N3O5/c1-30-13-7-9-16(19(29)11-13)22-24-20(14-4-2-3-5-17(14)27)23-21(25-22)15-8-6-12(26)10-18(15)28/h2-11,26-29H,1H3
InChIKeyJDWURJBACUMFGL-UHFFFAOYSA-N
XLogP3.70
TPSA128.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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
5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
2-[4,6-bis(2,3,4,5,6-pentamethylphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane
CID 136630201
4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 154233964
2-[4,6-bis(4-methoxy-2-nitrosophenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol
CID 137167775
2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane
CID 135988448
2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane;methane
CID 159882082
2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
CID 136603035
2-(4-amino-6-methoxyquinazolin-2-yl)phenol
CID 137271406
2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 135597460
benzene-1,2-diol;4-methoxyphenol
CID 70292826
4-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
CID 136632194

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol (CID 136946080) is 4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol is COc1ccc(-c2nc(-c3ccccc3O)nc(-c3ccc(O)cc3O)n2)c(O)c1.
What is the InChIKey of 4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol?
The InChIKey is JDWURJBACUMFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O5/c1-30-13-7-9-16(19(29)11-13)22-24-20(14-4-2-3-5-17(14)27)23-21(25-22)15-8-6-12(26)10-18(15)28/h2-11,26-29H,1H3.
What are the key properties of 4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol?
4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol has a molecular weight of 403.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 136946080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).