2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane

C27H29N3O4 — CID 135988448

IUPAC2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane
SMILESCC.COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(OC)cc3O)n2)c(O)c1
InChIInChI=1S/C25H23N3O4.C2H6/c1-14-5-8-18(15(2)11-14)23-26-24(19-9-6-16(31-3)12-21(19)29)28-25(27-23)20-10-7-17(32-4)13-22(20)30;1-2/h5-13,29-30H,1-4H3;1-2H3
InChIKeyLUYXYNDNWURNPM-UHFFFAOYSA-N
MW459.55 g/mol
LogP5.94
Rot. Bonds5

About 2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane

2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane (PubChem CID 135988448) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane.

Molecular Properties

Compound Name2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane
PubChem CID135988448
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC Name2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane
SMILESCC.COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(OC)cc3O)n2)c(O)c1
InChIInChI=1S/C25H23N3O4.C2H6/c1-14-5-8-18(15(2)11-14)23-26-24(19-9-6-16(31-3)12-21(19)29)28-25(27-23)20-10-7-17(32-4)13-22(20)30;1-2/h5-13,29-30H,1-4H3;1-2H3
InChIKeyLUYXYNDNWURNPM-UHFFFAOYSA-N
XLogP5.94
TPSA97.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane;methane
CID 159882082
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-propoxyphenol
CID 135736962
2-[4,6-bis(2,3,4,5,6-pentamethylphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane
CID 136630201
5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 135671150
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol
CID 169098756
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
4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 154233964
4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 136946080
methane;2-methoxyethyl 2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate
CID 158424469
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol;prop-2-en-1-one;uranium(2+)
CID 163627714

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane?
The IUPAC name of 2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane (CID 135988448) is 2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane.
What is the SMILES notation for 2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane?
The canonical SMILES for 2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane is CC.COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(OC)cc3O)n2)c(O)c1.
What is the InChIKey of 2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane?
The InChIKey is LUYXYNDNWURNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4.C2H6/c1-14-5-8-18(15(2)11-14)23-26-24(19-9-6-16(31-3)12-21(19)29)28-25(27-23)20-10-7-17(32-4)13-22(20)30;1-2/h5-13,29-30H,1-4H3;1-2H3.
What are the key properties of 2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane?
2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane has a molecular weight of 459.55 g/mol, XLogP of 5.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane is sourced from PubChem (CID 135988448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).