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

C22H17N3O2 — CID 135486181

IUPAC2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C22H17N3O2/c1-27-17-13-11-16(12-14-17)21-23-20(15-7-3-2-4-8-15)24-22(25-21)18-9-5-6-10-19(18)26/h2-14,26H,1H3
InChIKeyVARDNKCBWBOEBW-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.59
Rot. Bonds4

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

2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol (PubChem CID 135486181) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
PubChem CID135486181
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C22H17N3O2/c1-27-17-13-11-16(12-14-17)21-23-20(15-7-3-2-4-8-15)24-22(25-21)18-9-5-6-10-19(18)26/h2-14,26H,1H3
InChIKeyVARDNKCBWBOEBW-UHFFFAOYSA-N
XLogP4.59
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol (CID 135486181) is 2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol is COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol?
The InChIKey is VARDNKCBWBOEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-27-17-13-11-16(12-14-17)21-23-20(15-7-3-2-4-8-15)24-22(25-21)18-9-5-6-10-19(18)26/h2-14,26H,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol?
2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol has a molecular weight of 355.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 135486181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).