2,6-dimethoxybenzene-1,4-dicarbonyl chloride

C10H8Cl2O4 — CID 54570871

IUPAC2,6-dimethoxybenzene-1,4-dicarbonyl chloride
SMILESCOc1cc(C(=O)Cl)cc(OC)c1C(=O)Cl
InChIInChI=1S/C10H8Cl2O4/c1-15-6-3-5(9(11)13)4-7(16-2)8(6)10(12)14/h3-4H,1-2H3
InChIKeyZXDUGXMPAHPJIW-UHFFFAOYSA-N
MW263.08 g/mol
LogP2.46
Rot. Bonds4

About 2,6-dimethoxybenzene-1,4-dicarbonyl chloride

2,6-dimethoxybenzene-1,4-dicarbonyl chloride (PubChem CID 54570871) has the molecular formula C10H8Cl2O4 and a molecular weight of 263.08 g/mol. Its IUPAC name is 2,6-dimethoxybenzene-1,4-dicarbonyl chloride.

Molecular Properties

Compound Name2,6-dimethoxybenzene-1,4-dicarbonyl chloride
PubChem CID54570871
Molecular FormulaC10H8Cl2O4
Molecular Weight263.08 g/mol
Exact Mass261.98
IUPAC Name2,6-dimethoxybenzene-1,4-dicarbonyl chloride
SMILESCOc1cc(C(=O)Cl)cc(OC)c1C(=O)Cl
InChIInChI=1S/C10H8Cl2O4/c1-15-6-3-5(9(11)13)4-7(16-2)8(6)10(12)14/h3-4H,1-2H3
InChIKeyZXDUGXMPAHPJIW-UHFFFAOYSA-N
XLogP2.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2,6-dimethoxybenzoyl chloride
CID 21317234
3,4-dichloro-5-methoxybenzoyl chloride
CID 21483940
2,6-dichloro-3,5-dimethoxybenzoyl chloride
CID 156633344
2-chloro-6-methoxy-4-methylbenzoyl chloride
CID 171008459
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
CID 10979521
4-cyano-3-methoxy-5-methylbenzoyl chloride
CID 171027009
2-fluoro-6-methoxy-4-methylbenzoyl chloride
CID 171014950
3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride
CID 50883161
4-cyano-3-methoxybenzoyl chloride
CID 45081742
(5-carbonochloridoyl-2-methoxyphenyl) acetate
CID 18536926
methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate
CID 11528794
1,3-dimethoxynaphthalene-2-carbonyl chloride
CID 21275659

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxybenzene-1,4-dicarbonyl chloride?
The IUPAC name of 2,6-dimethoxybenzene-1,4-dicarbonyl chloride (CID 54570871) is 2,6-dimethoxybenzene-1,4-dicarbonyl chloride.
What is the SMILES notation for 2,6-dimethoxybenzene-1,4-dicarbonyl chloride?
The canonical SMILES for 2,6-dimethoxybenzene-1,4-dicarbonyl chloride is COc1cc(C(=O)Cl)cc(OC)c1C(=O)Cl.
What is the InChIKey of 2,6-dimethoxybenzene-1,4-dicarbonyl chloride?
The InChIKey is ZXDUGXMPAHPJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O4/c1-15-6-3-5(9(11)13)4-7(16-2)8(6)10(12)14/h3-4H,1-2H3.
What are the key properties of 2,6-dimethoxybenzene-1,4-dicarbonyl chloride?
2,6-dimethoxybenzene-1,4-dicarbonyl chloride has a molecular weight of 263.08 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxybenzene-1,4-dicarbonyl chloride is sourced from PubChem (CID 54570871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).