2,3-diethoxyphenol;5-methoxy-4-phenyltriazine

C20H23N3O4 — CID 66680700

IUPAC2,3-diethoxyphenol;5-methoxy-4-phenyltriazine
SMILESCCOc1cccc(O)c1OCC.COc1cnnnc1-c1ccccc1
InChIInChI=1S/C10H9N3O.C10H14O3/c1-14-9-7-11-13-12-10(9)8-5-3-2-4-6-8;1-3-12-9-7-5-6-8(11)10(9)13-4-2/h2-7H,1H3;5-7,11H,3-4H2,1-2H3
InChIKeyYTDZIJMKLJLHHS-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.74
Rot. Bonds6

About 2,3-diethoxyphenol;5-methoxy-4-phenyltriazine

2,3-diethoxyphenol;5-methoxy-4-phenyltriazine (PubChem CID 66680700) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2,3-diethoxyphenol;5-methoxy-4-phenyltriazine.

Molecular Properties

Compound Name2,3-diethoxyphenol;5-methoxy-4-phenyltriazine
PubChem CID66680700
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2,3-diethoxyphenol;5-methoxy-4-phenyltriazine
SMILESCCOc1cccc(O)c1OCC.COc1cnnnc1-c1ccccc1
InChIInChI=1S/C10H9N3O.C10H14O3/c1-14-9-7-11-13-12-10(9)8-5-3-2-4-6-8;1-3-12-9-7-5-6-8(11)10(9)13-4-2/h2-7H,1H3;5-7,11H,3-4H2,1-2H3
InChIKeyYTDZIJMKLJLHHS-UHFFFAOYSA-N
XLogP3.74
TPSA86.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxyphenol;5-methoxy-4-phenyltriazine?
The IUPAC name of 2,3-diethoxyphenol;5-methoxy-4-phenyltriazine (CID 66680700) is 2,3-diethoxyphenol;5-methoxy-4-phenyltriazine.
What is the SMILES notation for 2,3-diethoxyphenol;5-methoxy-4-phenyltriazine?
The canonical SMILES for 2,3-diethoxyphenol;5-methoxy-4-phenyltriazine is CCOc1cccc(O)c1OCC.COc1cnnnc1-c1ccccc1.
What is the InChIKey of 2,3-diethoxyphenol;5-methoxy-4-phenyltriazine?
The InChIKey is YTDZIJMKLJLHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O.C10H14O3/c1-14-9-7-11-13-12-10(9)8-5-3-2-4-6-8;1-3-12-9-7-5-6-8(11)10(9)13-4-2/h2-7H,1H3;5-7,11H,3-4H2,1-2H3.
What are the key properties of 2,3-diethoxyphenol;5-methoxy-4-phenyltriazine?
2,3-diethoxyphenol;5-methoxy-4-phenyltriazine has a molecular weight of 369.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxyphenol;5-methoxy-4-phenyltriazine is sourced from PubChem (CID 66680700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).