3-(acetyloxymethyl)-4-methoxybenzenediazonium

C10H11N2O3+ — CID 134878132

IUPAC3-(acetyloxymethyl)-4-methoxybenzenediazonium
SMILESCOc1ccc([N+]#N)cc1COC(C)=O
InChIInChI=1S/C10H11N2O3/c1-7(13)15-6-8-5-9(12-11)3-4-10(8)14-2/h3-5H,6H2,1-2H3/q+1
InChIKeyXKPKWZIWCXNMPP-UHFFFAOYSA-N
MW207.21 g/mol
LogP2.24
Rot. Bonds3

About 3-(acetyloxymethyl)-4-methoxybenzenediazonium

3-(acetyloxymethyl)-4-methoxybenzenediazonium (PubChem CID 134878132) has the molecular formula C10H11N2O3+ and a molecular weight of 207.21 g/mol. Its IUPAC name is 3-(acetyloxymethyl)-4-methoxybenzenediazonium.

Molecular Properties

Compound Name3-(acetyloxymethyl)-4-methoxybenzenediazonium
PubChem CID134878132
Molecular FormulaC10H11N2O3+
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name3-(acetyloxymethyl)-4-methoxybenzenediazonium
SMILESCOc1ccc([N+]#N)cc1COC(C)=O
InChIInChI=1S/C10H11N2O3/c1-7(13)15-6-8-5-9(12-11)3-4-10(8)14-2/h3-5H,6H2,1-2H3/q+1
InChIKeyXKPKWZIWCXNMPP-UHFFFAOYSA-N
XLogP2.24
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 52.24
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

3-(acetyloxymethyl)-4-methoxybenzenediazonium;hydrogen sulfate
CID 134878131
[5-[(Z)-3-amino-3-oxoprop-1-enyl]-2-methoxyphenyl]methyl acetate
CID 170877335
methyl 3-[3-(acetyloxymethyl)-4-methoxyphenyl]-2-aminopropanoate
CID 170883870
(2-acetyloxy-5-methoxyphenyl)methyl acetate
CID 14531143
3,4-dimethoxybenzenediazonium chloride
CID 15840191
[2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
CID 58444255
(2,4-dihydroxyphenyl)methyl acetate
CID 102447193
bis[(5-fluoro-2-methoxyphenyl)methyl] (E)-but-2-enedioate
CID 9010730
3-(acetyloxymethyl)-4-methoxy-2-nitrobenzenediazonium
CID 134929645
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855
(2-methoxy-5-methylphenyl)methyl 4-aminobenzoate
CID 60730788
[3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate
CID 3609489

Frequently Asked Questions

What is the IUPAC name of 3-(acetyloxymethyl)-4-methoxybenzenediazonium?
The IUPAC name of 3-(acetyloxymethyl)-4-methoxybenzenediazonium (CID 134878132) is 3-(acetyloxymethyl)-4-methoxybenzenediazonium.
What is the SMILES notation for 3-(acetyloxymethyl)-4-methoxybenzenediazonium?
The canonical SMILES for 3-(acetyloxymethyl)-4-methoxybenzenediazonium is COc1ccc([N+]#N)cc1COC(C)=O.
What is the InChIKey of 3-(acetyloxymethyl)-4-methoxybenzenediazonium?
The InChIKey is XKPKWZIWCXNMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2O3/c1-7(13)15-6-8-5-9(12-11)3-4-10(8)14-2/h3-5H,6H2,1-2H3/q+1.
What are the key properties of 3-(acetyloxymethyl)-4-methoxybenzenediazonium?
3-(acetyloxymethyl)-4-methoxybenzenediazonium has a molecular weight of 207.21 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(acetyloxymethyl)-4-methoxybenzenediazonium is sourced from PubChem (CID 134878132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).