azidomethoxymethylbenzene

C8H9N3O — CID 11171149

IUPACazidomethoxymethylbenzene
SMILES[N-]=[N+]=NCOCc1ccccc1
InChIInChI=1S/C8H9N3O/c9-11-10-7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyIMRXSEKBRIGHNT-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.47
Rot. Bonds4

About azidomethoxymethylbenzene

azidomethoxymethylbenzene (PubChem CID 11171149) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is azidomethoxymethylbenzene.

Molecular Properties

Compound Nameazidomethoxymethylbenzene
PubChem CID11171149
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Nameazidomethoxymethylbenzene
SMILES[N-]=[N+]=NCOCc1ccccc1
InChIInChI=1S/C8H9N3O/c9-11-10-7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyIMRXSEKBRIGHNT-UHFFFAOYSA-N
XLogP2.47
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azidoethoxymethylbenzene
CID 11116596
CID 66734377
CID 66734377
[azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 10591556
(213C)ethoxymethylbenzene
CID 87947851
ethane;phenylmethoxymethylbenzene
CID 90943549
1,6-diazido-3,4-bis(phenylmethoxy)hexane-2,5-diol
CID 59824366
(2S)-2-azido-3-phenylmethoxypropan-1-ol
CID 10632133
(3-azidocyclobutyl)methoxymethylbenzene
CID 86035077
3-azido-2-phenylmethoxypropanal
CID 130004617
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
4-(phenylmethoxymethyl)aniline
CID 11701294

Frequently Asked Questions

What is the IUPAC name of azidomethoxymethylbenzene?
The IUPAC name of azidomethoxymethylbenzene (CID 11171149) is azidomethoxymethylbenzene.
What is the SMILES notation for azidomethoxymethylbenzene?
The canonical SMILES for azidomethoxymethylbenzene is [N-]=[N+]=NCOCc1ccccc1.
What is the InChIKey of azidomethoxymethylbenzene?
The InChIKey is IMRXSEKBRIGHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-11-10-7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of azidomethoxymethylbenzene?
azidomethoxymethylbenzene has a molecular weight of 163.18 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azidomethoxymethylbenzene is sourced from PubChem (CID 11171149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).