2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol

C23H19N3O3 — CID 135597460

IUPAC2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
SMILESCOc1ccc(-c2nc(-c3ccc(CO)cc3)nc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C23H19N3O3/c1-29-18-12-10-17(11-13-18)22-24-21(16-8-6-15(14-27)7-9-16)25-23(26-22)19-4-2-3-5-20(19)28/h2-13,27-28H,14H2,1H3
InChIKeyRKAQFGKPYGOOCC-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.08
Rot. Bonds5

About 2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol

2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol (PubChem CID 135597460) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
PubChem CID135597460
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
SMILESCOc1ccc(-c2nc(-c3ccc(CO)cc3)nc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C23H19N3O3/c1-29-18-12-10-17(11-13-18)22-24-21(16-8-6-15(14-27)7-9-16)25-23(26-22)19-4-2-3-5-20(19)28/h2-13,27-28H,14H2,1H3
InChIKeyRKAQFGKPYGOOCC-UHFFFAOYSA-N
XLogP4.08
TPSA88.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;[4-[4-[4-[8-[4-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]methanol;2-(2-methylphenyl)-4-[4-[8-[4-[4-(2-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 161287809
(4-methoxyphenyl)methanol
CID 7738
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
4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 136946080
2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol
CID 136593917
[4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenyl]methanol
CID 162475875
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-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 135975716
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
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol (CID 135597460) is 2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol is COc1ccc(-c2nc(-c3ccc(CO)cc3)nc(-c3ccccc3O)n2)cc1.
What is the InChIKey of 2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol?
The InChIKey is RKAQFGKPYGOOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-29-18-12-10-17(11-13-18)22-24-21(16-8-6-15(14-27)7-9-16)25-23(26-22)19-4-2-3-5-20(19)28/h2-13,27-28H,14H2,1H3.
What are the key properties of 2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol?
2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol has a molecular weight of 385.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 135597460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).