6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol

C28H29N3O4 — CID 137252926

IUPAC6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol
SMILESCOc1ccc(-c2nc(-c3ccc(C)c(C)c3O)nc(-c3ccc(OC)c(C)c3O)n2)c(C)c1C
InChIInChI=1S/C28H29N3O4/c1-14-8-9-20(24(32)15(14)2)27-29-26(19-10-12-22(34-6)17(4)16(19)3)30-28(31-27)21-11-13-23(35-7)18(5)25(21)33/h8-13,32-33H,1-7H3
InChIKeyWDOXWRIMRDTFFR-UHFFFAOYSA-N
MW471.56 g/mol
LogP5.84
Rot. Bonds5

About 6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol

6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol (PubChem CID 137252926) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol.

Molecular Properties

Compound Name6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol
PubChem CID137252926
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol
SMILESCOc1ccc(-c2nc(-c3ccc(C)c(C)c3O)nc(-c3ccc(OC)c(C)c3O)n2)c(C)c1C
InChIInChI=1S/C28H29N3O4/c1-14-8-9-20(24(32)15(14)2)27-29-26(19-10-12-22(34-6)17(4)16(19)3)30-28(31-27)21-11-13-23(35-7)18(5)25(21)33/h8-13,32-33H,1-7H3
InChIKeyWDOXWRIMRDTFFR-UHFFFAOYSA-N
XLogP5.84
TPSA97.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol
CID 137252928
3,6-dimethoxy-2-methylphenol
CID 13158257
6-[4,6-bis[2-hydroxy-4-(6-hydroxyhexoxy)-3-methylphenyl]-1,3,5-triazin-2-yl]-3-(6-hydroxyhexoxy)-2-methylphenol
CID 136927194
6-[4,6-bis[2-hydroxy-4-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]-3-methylphenyl]-1,3,5-triazin-2-yl]-3-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]-2-methylphenol
CID 135977712
2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine
CID 58604236
2-[4-(2,3-dimethylphenoxy)quinazolin-2-yl]-6-methoxyphenol
CID 3723683
4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine
CID 60996661
1-methoxy-2-methylbenzene;1-methoxy-2,3,4-trimethylbenzene
CID 175567040
1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene
CID 118188502
1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one
CID 13287046
4,6-bis(2,4-dihydroxy-3-methylphenyl)-1H-1,3,5-triazin-2-one;4-[4-[4-[[4,6-bis(2,4-dihydroxy-3-methylphenyl)-1,3,5-triazin-2-yl]oxy]-2-hydroxy-3-methylphenyl]-6-(2,4-dihydroxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2-methylbenzene-1,3-diol
CID 160898551
6-[4-[4,6-bis[2-hydroxy-3-methyl-4-[6-(2-methylprop-2-enoyloxy)hexoxy]phenyl]-1,3,5-triazin-2-yl]-3-hydroxy-2-methylphenoxy]hexyl 2-methylprop-2-enoate
CID 136927202

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol?
The IUPAC name of 6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol (CID 137252926) is 6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol.
What is the SMILES notation for 6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol?
The canonical SMILES for 6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol is COc1ccc(-c2nc(-c3ccc(C)c(C)c3O)nc(-c3ccc(OC)c(C)c3O)n2)c(C)c1C.
What is the InChIKey of 6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol?
The InChIKey is WDOXWRIMRDTFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-14-8-9-20(24(32)15(14)2)27-29-26(19-10-12-22(34-6)17(4)16(19)3)30-28(31-27)21-11-13-23(35-7)18(5)25(21)33/h8-13,32-33H,1-7H3.
What are the key properties of 6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol?
6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol has a molecular weight of 471.56 g/mol, XLogP of 5.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxy-4-methoxy-3-methylphenyl)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol is sourced from PubChem (CID 137252926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).