4-azido-1-ethyl-2-methoxybenzene

C9H11N3O — CID 151973375

IUPAC4-azido-1-ethyl-2-methoxybenzene
SMILESCCc1ccc(N=[N+]=[N-])cc1OC
InChIInChI=1S/C9H11N3O/c1-3-7-4-5-8(11-12-10)6-9(7)13-2/h4-6H,3H2,1-2H3
InChIKeyUBDMUQOFESTFOJ-UHFFFAOYSA-N
MW177.21 g/mol
LogP3.20
Rot. Bonds3

About 4-azido-1-ethyl-2-methoxybenzene

4-azido-1-ethyl-2-methoxybenzene (PubChem CID 151973375) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-azido-1-ethyl-2-methoxybenzene.

Molecular Properties

Compound Name4-azido-1-ethyl-2-methoxybenzene
PubChem CID151973375
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name4-azido-1-ethyl-2-methoxybenzene
SMILESCCc1ccc(N=[N+]=[N-])cc1OC
InChIInChI=1S/C9H11N3O/c1-3-7-4-5-8(11-12-10)6-9(7)13-2/h4-6H,3H2,1-2H3
InChIKeyUBDMUQOFESTFOJ-UHFFFAOYSA-N
XLogP3.20
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 53.20
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-azido-N-ethyl-2-methoxybenzamide
CID 140535521
5-azido-2-methoxybenzaldehyde
CID 54764214
N-(5-azido-2-methoxyphenyl)acetamide
CID 151085292
1-ethyl-4-iodo-2-methoxybenzene
CID 90338673
4-azido-1-nitro-2-propoxybenzene
CID 80583524
N'-(4-ethyl-3-methoxyphenyl)-N-pentan-2-ylidenemethanimidamide
CID 142073354
3-(4-azido-2-methoxyphenoxy)pyridine
CID 152567738
4-azido-1-butyl-2-nitrobenzene
CID 123790313
4-azido-2-fluoro-1-(methoxymethoxy)benzene
CID 150921168
1-(azidomethyl)-2,4-dimethoxybenzene
CID 14217595
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
2-(4-ethyl-3-methoxyphenyl)acetaldehyde
CID 87726186

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-ethyl-2-methoxybenzene?
The IUPAC name of 4-azido-1-ethyl-2-methoxybenzene (CID 151973375) is 4-azido-1-ethyl-2-methoxybenzene.
What is the SMILES notation for 4-azido-1-ethyl-2-methoxybenzene?
The canonical SMILES for 4-azido-1-ethyl-2-methoxybenzene is CCc1ccc(N=[N+]=[N-])cc1OC.
What is the InChIKey of 4-azido-1-ethyl-2-methoxybenzene?
The InChIKey is UBDMUQOFESTFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-3-7-4-5-8(11-12-10)6-9(7)13-2/h4-6H,3H2,1-2H3.
What are the key properties of 4-azido-1-ethyl-2-methoxybenzene?
4-azido-1-ethyl-2-methoxybenzene has a molecular weight of 177.21 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-ethyl-2-methoxybenzene is sourced from PubChem (CID 151973375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).