6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride

C15H13Cl2N3O7 — CID 140938435

IUPAC6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride
SMILESCOc1cc(Oc2nc(C(=O)Cl)nc(C(=O)Cl)n2)c(OC)c(OC)c1OC
InChIInChI=1S/C15H13Cl2N3O7/c1-23-6-5-7(9(25-3)10(26-4)8(6)24-2)27-15-19-13(11(16)21)18-14(20-15)12(17)22/h5H,1-4H3
InChIKeyIDPHJEAEYUSFRZ-UHFFFAOYSA-N
MW418.19 g/mol
LogP2.46
Rot. Bonds8

About 6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride

6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride (PubChem CID 140938435) has the molecular formula C15H13Cl2N3O7 and a molecular weight of 418.19 g/mol. Its IUPAC name is 6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride.

Molecular Properties

Compound Name6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride
PubChem CID140938435
Molecular FormulaC15H13Cl2N3O7
Molecular Weight418.19 g/mol
Exact Mass417.01
IUPAC Name6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride
SMILESCOc1cc(Oc2nc(C(=O)Cl)nc(C(=O)Cl)n2)c(OC)c(OC)c1OC
InChIInChI=1S/C15H13Cl2N3O7/c1-23-6-5-7(9(25-3)10(26-4)8(6)24-2)27-15-19-13(11(16)21)18-14(20-15)12(17)22/h5H,1-4H3
InChIKeyIDPHJEAEYUSFRZ-UHFFFAOYSA-N
XLogP2.46
TPSA118.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.19
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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CID 175261663
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2,6-dichloro-3,5-dimethoxybenzoyl chloride
CID 156633344
acetyl chloride;2,3-dimethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 87951473
methyl 3,4,6-trimethoxy-2-methylbenzoate
CID 14037919
1-(6-bromo-2,3,4-trimethoxyphenyl)ethanone
CID 117466722
1-(5-amino-2,3-dimethoxyphenyl)ethanone
CID 142498186
1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane
CID 144776470
3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid
CID 79732948
1,3-dimethoxynaphthalene-2-carbonyl chloride
CID 21275659
3-(3,4,5-trimethoxyphenyl)propanoyl chloride
CID 14650097
3-chloro-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 67816267

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride?
The IUPAC name of 6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride (CID 140938435) is 6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride.
What is the SMILES notation for 6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride?
The canonical SMILES for 6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride is COc1cc(Oc2nc(C(=O)Cl)nc(C(=O)Cl)n2)c(OC)c(OC)c1OC.
What is the InChIKey of 6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride?
The InChIKey is IDPHJEAEYUSFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O7/c1-23-6-5-7(9(25-3)10(26-4)8(6)24-2)27-15-19-13(11(16)21)18-14(20-15)12(17)22/h5H,1-4H3.
What are the key properties of 6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride?
6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride has a molecular weight of 418.19 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,5-tetramethoxyphenoxy)-1,3,5-triazine-2,4-dicarbonyl chloride is sourced from PubChem (CID 140938435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).