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

C25H23N3O5 — CID 137270193

IUPAC4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol
SMILESCOCOc1ccc(-c2nc(-c3ccc(O)cc3)nc(-c3ccc(OCOC)cc3)n2)cc1
InChIInChI=1S/C25H23N3O5/c1-30-15-32-21-11-5-18(6-12-21)24-26-23(17-3-9-20(29)10-4-17)27-25(28-24)19-7-13-22(14-8-19)33-16-31-2/h3-14,29H,15-16H2,1-2H3
InChIKeyCSUCUFGUSFDNHI-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.54
Rot. Bonds9

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

4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol (PubChem CID 137270193) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol
PubChem CID137270193
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol
SMILESCOCOc1ccc(-c2nc(-c3ccc(O)cc3)nc(-c3ccc(OCOC)cc3)n2)cc1
InChIInChI=1S/C25H23N3O5/c1-30-15-32-21-11-5-18(6-12-21)24-26-23(17-3-9-20(29)10-4-17)27-25(28-24)19-7-13-22(14-8-19)33-16-31-2/h3-14,29H,15-16H2,1-2H3
InChIKeyCSUCUFGUSFDNHI-UHFFFAOYSA-N
XLogP4.54
TPSA95.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol (CID 137270193) is 4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol is COCOc1ccc(-c2nc(-c3ccc(O)cc3)nc(-c3ccc(OCOC)cc3)n2)cc1.
What is the InChIKey of 4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol?
The InChIKey is CSUCUFGUSFDNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-30-15-32-21-11-5-18(6-12-21)24-26-23(17-3-9-20(29)10-4-17)27-25(28-24)19-7-13-22(14-8-19)33-16-31-2/h3-14,29H,15-16H2,1-2H3.
What are the key properties of 4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol?
4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol has a molecular weight of 445.48 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 137270193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).