1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene

C10H12N6O — CID 58764698

IUPAC1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene
SMILESCOc1c(CN=[N+]=[N-])cc(C)cc1CN=[N+]=[N-]
InChIInChI=1S/C10H12N6O/c1-7-3-8(5-13-15-11)10(17-2)9(4-7)6-14-16-12/h3-4H,5-6H2,1-2H3
InChIKeyGGZJPLORDTXODM-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.62
Rot. Bonds5

About 1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene

1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene (PubChem CID 58764698) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene.

Molecular Properties

Compound Name1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene
PubChem CID58764698
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene
SMILESCOc1c(CN=[N+]=[N-])cc(C)cc1CN=[N+]=[N-]
InChIInChI=1S/C10H12N6O/c1-7-3-8(5-13-15-11)10(17-2)9(4-7)6-14-16-12/h3-4H,5-6H2,1-2H3
InChIKeyGGZJPLORDTXODM-UHFFFAOYSA-N
XLogP3.62
TPSA106.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.62
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'}

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Related Compounds

1-(azidomethyl)-2-methoxybenzene
CID 11263685
1-(azidomethyl)-2,4-dimethoxybenzene
CID 14217595
2-(azidomethyl)-1,3,5-trimethylbenzene
CID 10631091
5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine
CID 167696388
2-(azidomethyl)-4-methoxyphenol
CID 16655853
2-(azidomethyl)-1-bromo-3,5-dimethylbenzene
CID 150445194
1-(azidomethyl)-4-(4-chlorophenoxy)-2-fluoro-5-iodo-3-methoxybenzene
CID 177318309
[3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol
CID 11847802
1-(azidomethyl)-3-methylbenzene
CID 2736816
[2-methoxy-5-methyl-3-(thiocyanatomethyl)phenyl]methyl thiocyanate
CID 2756736
2-(azidomethyl)-1-methoxyphenanthridine
CID 150621389
1-azido-2-methoxy-4-methylbenzene
CID 152671087

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene?
The IUPAC name of 1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene (CID 58764698) is 1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene.
What is the SMILES notation for 1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene?
The canonical SMILES for 1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene is COc1c(CN=[N+]=[N-])cc(C)cc1CN=[N+]=[N-].
What is the InChIKey of 1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene?
The InChIKey is GGZJPLORDTXODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-7-3-8(5-13-15-11)10(17-2)9(4-7)6-14-16-12/h3-4H,5-6H2,1-2H3.
What are the key properties of 1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene?
1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene has a molecular weight of 232.25 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene is sourced from PubChem (CID 58764698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).