2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde

C12H11N3O5 — CID 19778876

IUPAC2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde
SMILESCOc1nc(OC)nc(Oc2cccc(O)c2C=O)n1
InChIInChI=1S/C12H11N3O5/c1-18-10-13-11(19-2)15-12(14-10)20-9-5-3-4-8(17)7(9)6-16/h3-6,17H,1-2H3
InChIKeyWSCDPLHYRZJQOP-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.20
Rot. Bonds5

About 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde

2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde (PubChem CID 19778876) has the molecular formula C12H11N3O5 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde
PubChem CID19778876
Molecular FormulaC12H11N3O5
Molecular Weight277.24 g/mol
Exact Mass277.07
IUPAC Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde
SMILESCOc1nc(OC)nc(Oc2cccc(O)c2C=O)n1
InChIInChI=1S/C12H11N3O5/c1-18-10-13-11(19-2)15-12(14-10)20-9-5-3-4-8(17)7(9)6-16/h3-6,17H,1-2H3
InChIKeyWSCDPLHYRZJQOP-UHFFFAOYSA-N
XLogP1.20
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde?
The IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde (CID 19778876) is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde?
The canonical SMILES for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde is COc1nc(OC)nc(Oc2cccc(O)c2C=O)n1.
What is the InChIKey of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde?
The InChIKey is WSCDPLHYRZJQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5/c1-18-10-13-11(19-2)15-12(14-10)20-9-5-3-4-8(17)7(9)6-16/h3-6,17H,1-2H3.
What are the key properties of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde?
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde has a molecular weight of 277.24 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde is sourced from PubChem (CID 19778876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).