1-azido-2-methoxy-4-methylbenzene

C8H9N3O — CID 152671087

IUPAC1-azido-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1N=[N+]=[N-]
InChIInChI=1S/C8H9N3O/c1-6-3-4-7(10-11-9)8(5-6)12-2/h3-5H,1-2H3
InChIKeyZLNZYWALVUZKHX-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.95
Rot. Bonds2

About 1-azido-2-methoxy-4-methylbenzene

1-azido-2-methoxy-4-methylbenzene (PubChem CID 152671087) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-azido-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-azido-2-methoxy-4-methylbenzene
PubChem CID152671087
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name1-azido-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1N=[N+]=[N-]
InChIInChI=1S/C8H9N3O/c1-6-3-4-7(10-11-9)8(5-6)12-2/h3-5H,1-2H3
InChIKeyZLNZYWALVUZKHX-UHFFFAOYSA-N
XLogP2.95
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.95
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

1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene
CID 169325952
1-azido-2-(dimethoxymethyl)-4-methylbenzene
CID 71531091
5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 54425378
1-azido-2,3-difluoro-5-methoxy-4-methylbenzene
CID 169326636
1-(4-azido-3-methoxyphenyl)tetrazole
CID 151702595
2-(2-azidophenoxy)-5-methylphenol
CID 86607775
1-azido-2-bromo-4-chloro-5-methoxybenzene
CID 150038194
3-azido-6-methoxy-2-methylpyridine
CID 151655403
(2-methoxy-4-methylphenyl)-[4-[(2-methoxyphenyl)diazenyl]phenyl]diazene
CID 156523555
2-azido-4-methylbenzonitrile
CID 80583819
4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine
CID 58654539
1-azido-2,4,5-trimethylbenzene
CID 3025812

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-methoxy-4-methylbenzene?
The IUPAC name of 1-azido-2-methoxy-4-methylbenzene (CID 152671087) is 1-azido-2-methoxy-4-methylbenzene.
What is the SMILES notation for 1-azido-2-methoxy-4-methylbenzene?
The canonical SMILES for 1-azido-2-methoxy-4-methylbenzene is COc1cc(C)ccc1N=[N+]=[N-].
What is the InChIKey of 1-azido-2-methoxy-4-methylbenzene?
The InChIKey is ZLNZYWALVUZKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-6-3-4-7(10-11-9)8(5-6)12-2/h3-5H,1-2H3.
What are the key properties of 1-azido-2-methoxy-4-methylbenzene?
1-azido-2-methoxy-4-methylbenzene has a molecular weight of 163.18 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-methoxy-4-methylbenzene is sourced from PubChem (CID 152671087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).