1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium

C10H10ClN2O3+ — CID 86617424

IUPAC1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium
SMILESCOC(=O)C([N+]#N)c1ccc(Cl)cc1OC
InChIInChI=1S/C10H10ClN2O3/c1-15-8-5-6(11)3-4-7(8)9(13-12)10(14)16-2/h3-5,9H,1-2H3/q+1
InChIKeyCMPDBONQPLPTHK-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.42
Rot. Bonds3

About 1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium

1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium (PubChem CID 86617424) has the molecular formula C10H10ClN2O3+ and a molecular weight of 241.65 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium
PubChem CID86617424
Molecular FormulaC10H10ClN2O3+
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium
SMILESCOC(=O)C([N+]#N)c1ccc(Cl)cc1OC
InChIInChI=1S/C10H10ClN2O3/c1-15-8-5-6(11)3-4-7(8)9(13-12)10(14)16-2/h3-5,9H,1-2H3/q+1
InChIKeyCMPDBONQPLPTHK-UHFFFAOYSA-N
XLogP2.42
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium
CID 175456753
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate
CID 82489876
(3S)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 96804173
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
(5-chloro-2-methoxyphenyl) methyl carbonate
CID 170342081
(4-chloro-2-methoxyphenyl) carbamate
CID 130017787
1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 105005589
2-chloro-2-(5-chloro-2-methoxyphenyl)acetamide
CID 138607352
1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 114978300
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705535

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium (CID 86617424) is 1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium is COC(=O)C([N+]#N)c1ccc(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium?
The InChIKey is CMPDBONQPLPTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN2O3/c1-15-8-5-6(11)3-4-7(8)9(13-12)10(14)16-2/h3-5,9H,1-2H3/q+1.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium?
1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium has a molecular weight of 241.65 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-2-methoxy-2-oxoethanediazonium is sourced from PubChem (CID 86617424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).