3-methoxybenzenediazonium

C7H7N2O+ — CID 11636885

IUPAC3-methoxybenzenediazonium
SMILESCOc1cccc([N+]#N)c1
InChIInChI=1S/C7H7N2O/c1-10-7-4-2-3-6(5-7)9-8/h2-5H,1H3/q+1
InChIKeyFVWYMWQNSGJCMY-UHFFFAOYSA-N
MW135.15 g/mol
LogP2.18
Rot. Bonds1

About 3-methoxybenzenediazonium

3-methoxybenzenediazonium (PubChem CID 11636885) has the molecular formula C7H7N2O+ and a molecular weight of 135.15 g/mol. Its IUPAC name is 3-methoxybenzenediazonium.

Molecular Properties

Compound Name3-methoxybenzenediazonium
PubChem CID11636885
Molecular FormulaC7H7N2O+
Molecular Weight135.15 g/mol
Exact Mass135.06
IUPAC Name3-methoxybenzenediazonium
SMILESCOc1cccc([N+]#N)c1
InChIInChI=1S/C7H7N2O/c1-10-7-4-2-3-6(5-7)9-8/h2-5H,1H3/q+1
InChIKeyFVWYMWQNSGJCMY-UHFFFAOYSA-N
XLogP2.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.15
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[9-(3-diazoniophenoxy)nonoxy]benzenediazonium
CID 177439342
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383
3-methoxyaniline;sulfane
CID 174447811
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
CID 139245906
CID 139245906
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
CID 153354664
CID 153354664

Frequently Asked Questions

What is the IUPAC name of 3-methoxybenzenediazonium?
The IUPAC name of 3-methoxybenzenediazonium (CID 11636885) is 3-methoxybenzenediazonium.
What is the SMILES notation for 3-methoxybenzenediazonium?
The canonical SMILES for 3-methoxybenzenediazonium is COc1cccc([N+]#N)c1.
What is the InChIKey of 3-methoxybenzenediazonium?
The InChIKey is FVWYMWQNSGJCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2O/c1-10-7-4-2-3-6(5-7)9-8/h2-5H,1H3/q+1.
What are the key properties of 3-methoxybenzenediazonium?
3-methoxybenzenediazonium has a molecular weight of 135.15 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybenzenediazonium is sourced from PubChem (CID 11636885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).