azido formate;1-methoxy-4-methylbenzene

C9H11N3O3 — CID 67587053

IUPACazido formate;1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1.[N-]=[N+]=NOC=O
InChIInChI=1S/C8H10O.CHN3O2/c1-7-3-5-8(9-2)6-4-7;2-3-4-6-1-5/h3-6H,1-2H3;1H
InChIKeyMPXGNBGINWQTQJ-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.39
Rot. Bonds3

About azido formate;1-methoxy-4-methylbenzene

azido formate;1-methoxy-4-methylbenzene (PubChem CID 67587053) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is azido formate;1-methoxy-4-methylbenzene.

Molecular Properties

Compound Nameazido formate;1-methoxy-4-methylbenzene
PubChem CID67587053
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Nameazido formate;1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1.[N-]=[N+]=NOC=O
InChIInChI=1S/C8H10O.CHN3O2/c1-7-3-5-8(9-2)6-4-7;2-3-4-6-1-5/h3-6H,1-2H3;1H
InChIKeyMPXGNBGINWQTQJ-UHFFFAOYSA-N
XLogP2.39
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze azido formate;1-methoxy-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(113C)methoxy-4-methylbenzene
CID 166176950
(Z)-but-2-ene;1-methoxy-4-methylbenzene
CID 143799535
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-methoxy-4-methylbenzene;propane
CID 142064987
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
benzaldehyde;1-methoxy-4-methylbenzene
CID 142165597
1-(azidomethoxy)-4-methylbenzene
CID 14119265
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018
ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
CID 91209459
ethyl (Z)-4-azido-3-(4-methoxyphenyl)but-2-enoate
CID 102183878
4-methoxyphenol;4-methylphenol
CID 158312507
bis(1-methoxy-4-methylbenzene);2-methylbuta-1,3-diene;prop-2-enal
CID 172594922

Frequently Asked Questions

What is the IUPAC name of azido formate;1-methoxy-4-methylbenzene?
The IUPAC name of azido formate;1-methoxy-4-methylbenzene (CID 67587053) is azido formate;1-methoxy-4-methylbenzene.
What is the SMILES notation for azido formate;1-methoxy-4-methylbenzene?
The canonical SMILES for azido formate;1-methoxy-4-methylbenzene is COc1ccc(C)cc1.[N-]=[N+]=NOC=O.
What is the InChIKey of azido formate;1-methoxy-4-methylbenzene?
The InChIKey is MPXGNBGINWQTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.CHN3O2/c1-7-3-5-8(9-2)6-4-7;2-3-4-6-1-5/h3-6H,1-2H3;1H.
What are the key properties of azido formate;1-methoxy-4-methylbenzene?
azido formate;1-methoxy-4-methylbenzene has a molecular weight of 209.20 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azido formate;1-methoxy-4-methylbenzene is sourced from PubChem (CID 67587053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).