1-(2-azidoethoxy)-4-chloro-2-methylbenzene

C9H10ClN3O — CID 61397078

IUPAC1-(2-azidoethoxy)-4-chloro-2-methylbenzene
SMILESCc1cc(Cl)ccc1OCCN=[N+]=[N-]
InChIInChI=1S/C9H10ClN3O/c1-7-6-8(10)2-3-9(7)14-5-4-12-13-11/h2-3,6H,4-5H2,1H3
InChIKeyWQUJUEUWQFLNCD-UHFFFAOYSA-N
MW211.65 g/mol
LogP3.34
Rot. Bonds4

About 1-(2-azidoethoxy)-4-chloro-2-methylbenzene

1-(2-azidoethoxy)-4-chloro-2-methylbenzene (PubChem CID 61397078) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 1-(2-azidoethoxy)-4-chloro-2-methylbenzene.

Molecular Properties

Compound Name1-(2-azidoethoxy)-4-chloro-2-methylbenzene
PubChem CID61397078
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name1-(2-azidoethoxy)-4-chloro-2-methylbenzene
SMILESCc1cc(Cl)ccc1OCCN=[N+]=[N-]
InChIInChI=1S/C9H10ClN3O/c1-7-6-8(10)2-3-9(7)14-5-4-12-13-11/h2-3,6H,4-5H2,1H3
InChIKeyWQUJUEUWQFLNCD-UHFFFAOYSA-N
XLogP3.34
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-chloro-1-(2-isothiocyanatoethoxy)-2-methylbenzene
CID 82081274
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
N-[2-(4-chloro-2-methylphenoxy)ethyl]propan-1-amine
CID 29015804
2-(2-azidoethoxy)-4-bromo-1-methylbenzene
CID 107285403
4-[2-(4-chloro-2-methylphenoxy)ethylsulfanyl]aniline
CID 39403149
4-chloro-2-methyl-1-(4-methylpentoxy)benzene
CID 151139968
1-(2-azidoethoxy)-2,3-dimethylbenzene
CID 61397204
3-[3-(4-chloro-2-methylphenoxy)propoxy]propan-1-amine
CID 82353373
2-[3-(4-chloro-2-methylphenoxy)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111079500
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline
CID 54798405
3-(4-chloro-2-methylphenoxy)propanehydrazide
CID 63574293

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethoxy)-4-chloro-2-methylbenzene?
The IUPAC name of 1-(2-azidoethoxy)-4-chloro-2-methylbenzene (CID 61397078) is 1-(2-azidoethoxy)-4-chloro-2-methylbenzene.
What is the SMILES notation for 1-(2-azidoethoxy)-4-chloro-2-methylbenzene?
The canonical SMILES for 1-(2-azidoethoxy)-4-chloro-2-methylbenzene is Cc1cc(Cl)ccc1OCCN=[N+]=[N-].
What is the InChIKey of 1-(2-azidoethoxy)-4-chloro-2-methylbenzene?
The InChIKey is WQUJUEUWQFLNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-7-6-8(10)2-3-9(7)14-5-4-12-13-11/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(2-azidoethoxy)-4-chloro-2-methylbenzene?
1-(2-azidoethoxy)-4-chloro-2-methylbenzene has a molecular weight of 211.65 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethoxy)-4-chloro-2-methylbenzene is sourced from PubChem (CID 61397078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).