1-(azidomethoxy)-4-methylbenzene

C8H9N3O — CID 14119265

IUPAC1-(azidomethoxy)-4-methylbenzene
SMILESCc1ccc(OCN=[N+]=[N-])cc1
InChIInChI=1S/C8H9N3O/c1-7-2-4-8(5-3-7)12-6-10-11-9/h2-5H,6H2,1H3
InChIKeyFSKGGHQLDONJIO-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.64
Rot. Bonds3

About 1-(azidomethoxy)-4-methylbenzene

1-(azidomethoxy)-4-methylbenzene (PubChem CID 14119265) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-(azidomethoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-(azidomethoxy)-4-methylbenzene
PubChem CID14119265
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name1-(azidomethoxy)-4-methylbenzene
SMILESCc1ccc(OCN=[N+]=[N-])cc1
InChIInChI=1S/C8H9N3O/c1-7-2-4-8(5-3-7)12-6-10-11-9/h2-5H,6H2,1H3
InChIKeyFSKGGHQLDONJIO-UHFFFAOYSA-N
XLogP2.64
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

4-(azidomethoxy)aniline
CID 152728355
2-[4-(azidomethoxy)phenyl]ethanol
CID 150054112
1-ethoxy-4-methylbenzene;yttrium
CID 59970582
N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide
CID 95936669
CID 164812144
CID 164812144
N-[3-(4-methylphenoxy)propyl]methanimine
CID 20728474
1-methyl-4-propoxybenzene;yttrium
CID 59325724
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
azido formate;1-methoxy-4-methylbenzene
CID 67587053
1-[azido-(4-methylphenoxy)phosphoryl]oxy-4-methylbenzene
CID 86126207
1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene
CID 68643436

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethoxy)-4-methylbenzene?
The IUPAC name of 1-(azidomethoxy)-4-methylbenzene (CID 14119265) is 1-(azidomethoxy)-4-methylbenzene.
What is the SMILES notation for 1-(azidomethoxy)-4-methylbenzene?
The canonical SMILES for 1-(azidomethoxy)-4-methylbenzene is Cc1ccc(OCN=[N+]=[N-])cc1.
What is the InChIKey of 1-(azidomethoxy)-4-methylbenzene?
The InChIKey is FSKGGHQLDONJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-7-2-4-8(5-3-7)12-6-10-11-9/h2-5H,6H2,1H3.
What are the key properties of 1-(azidomethoxy)-4-methylbenzene?
1-(azidomethoxy)-4-methylbenzene has a molecular weight of 163.18 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethoxy)-4-methylbenzene is sourced from PubChem (CID 14119265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).