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

C27H27N3O5 — CID 137252928

IUPAC6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol
SMILESCOc1ccc(-c2nc(-c3ccc(C)c(C)c3O)nc(-c3ccc(OC)c(C)c3O)n2)c(O)c1C
InChIInChI=1S/C27H27N3O5/c1-13-7-8-17(22(31)14(13)2)25-28-26(18-9-11-20(34-5)15(3)23(18)32)30-27(29-25)19-10-12-21(35-6)16(4)24(19)33/h7-12,31-33H,1-6H3
InChIKeyQFAWGXMYTRQDOP-UHFFFAOYSA-N
MW473.53 g/mol
LogP5.24
Rot. Bonds5

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

6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol (PubChem CID 137252928) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is 6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol.

Molecular Properties

Compound Name6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol
PubChem CID137252928
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol
SMILESCOc1ccc(-c2nc(-c3ccc(C)c(C)c3O)nc(-c3ccc(OC)c(C)c3O)n2)c(O)c1C
InChIInChI=1S/C27H27N3O5/c1-13-7-8-17(22(31)14(13)2)25-28-26(18-9-11-20(34-5)15(3)23(18)32)30-27(29-25)19-10-12-21(35-6)16(4)24(19)33/h7-12,31-33H,1-6H3
InChIKeyQFAWGXMYTRQDOP-UHFFFAOYSA-N
XLogP5.24
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.53
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol with MolForge

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Related Compounds

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
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
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
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
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
1-methoxy-2-methylbenzene;1-methoxy-2,3,4-trimethylbenzene
CID 175567040
6-ethoxy-2,3-dimethylphenol
CID 119015224
1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one
CID 13287046

Frequently Asked Questions

What is the IUPAC name of 6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol?
The IUPAC name of 6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol (CID 137252928) is 6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol.
What is the SMILES notation for 6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol?
The canonical SMILES for 6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-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(O)c1C.
What is the InChIKey of 6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol?
The InChIKey is QFAWGXMYTRQDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-13-7-8-17(22(31)14(13)2)25-28-26(18-9-11-20(34-5)15(3)23(18)32)30-27(29-25)19-10-12-21(35-6)16(4)24(19)33/h7-12,31-33H,1-6H3.
What are the key properties of 6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol?
6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol has a molecular weight of 473.53 g/mol, XLogP of 5.24, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4,6-bis(2-hydroxy-4-methoxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2,3-dimethylphenol is sourced from PubChem (CID 137252928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).