2-azido-1,3-bis(methoxymethyl)benzene

C10H13N3O2 — CID 11127473

IUPAC2-azido-1,3-bis(methoxymethyl)benzene
SMILESCOCc1cccc(COC)c1N=[N+]=[N-]
InChIInChI=1S/C10H13N3O2/c1-14-6-8-4-3-5-9(7-15-2)10(8)12-13-11/h3-5H,6-7H2,1-2H3
InChIKeyDGRIQGXNJCLUTB-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.92
Rot. Bonds5

About 2-azido-1,3-bis(methoxymethyl)benzene

2-azido-1,3-bis(methoxymethyl)benzene (PubChem CID 11127473) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-azido-1,3-bis(methoxymethyl)benzene.

Molecular Properties

Compound Name2-azido-1,3-bis(methoxymethyl)benzene
PubChem CID11127473
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-azido-1,3-bis(methoxymethyl)benzene
SMILESCOCc1cccc(COC)c1N=[N+]=[N-]
InChIInChI=1S/C10H13N3O2/c1-14-6-8-4-3-5-9(7-15-2)10(8)12-13-11/h3-5H,6-7H2,1-2H3
InChIKeyDGRIQGXNJCLUTB-UHFFFAOYSA-N
XLogP2.92
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 2-azido-1,3-bis(methoxymethyl)benzene 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

2-azido-1,3-bis(bromomethyl)benzene
CID 12007208
tris(2,6-bis(methoxymethyl)benzenethiol);trihydrofluoride
CID 173023834
2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene
CID 151554514
1,8-bis(methoxymethyl)-9H-fluorene
CID 176835432
2-azido-1,3-dibromobenzene
CID 23583922
3-(methoxymethyl)benzene-1,2-diamine
CID 45116640
[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride
CID 19835696
[2-(methoxymethyl)phenyl]azaniumylideneazanide
CID 163989337
N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide
CID 166283005
1-(2-azidoethyl)-3-(methoxymethyl)benzene
CID 150431775
N'-hydroxy-2-[2-hydroxy-3-(methoxymethyl)phenyl]ethanimidamide
CID 83884936
1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene
CID 70193365

Frequently Asked Questions

What is the IUPAC name of 2-azido-1,3-bis(methoxymethyl)benzene?
The IUPAC name of 2-azido-1,3-bis(methoxymethyl)benzene (CID 11127473) is 2-azido-1,3-bis(methoxymethyl)benzene.
What is the SMILES notation for 2-azido-1,3-bis(methoxymethyl)benzene?
The canonical SMILES for 2-azido-1,3-bis(methoxymethyl)benzene is COCc1cccc(COC)c1N=[N+]=[N-].
What is the InChIKey of 2-azido-1,3-bis(methoxymethyl)benzene?
The InChIKey is DGRIQGXNJCLUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-14-6-8-4-3-5-9(7-15-2)10(8)12-13-11/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-azido-1,3-bis(methoxymethyl)benzene?
2-azido-1,3-bis(methoxymethyl)benzene has a molecular weight of 207.23 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1,3-bis(methoxymethyl)benzene is sourced from PubChem (CID 11127473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).