4-(2-azidoethoxy)-1,2-dichlorobenzene

C8H7Cl2N3O — CID 61397043

IUPAC4-(2-azidoethoxy)-1,2-dichlorobenzene
SMILES[N-]=[N+]=NCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2N3O/c9-7-2-1-6(5-8(7)10)14-4-3-12-13-11/h1-2,5H,3-4H2
InChIKeyOLNNGLDVTQOTLZ-UHFFFAOYSA-N
MW232.07 g/mol
LogP3.68
Rot. Bonds4

About 4-(2-azidoethoxy)-1,2-dichlorobenzene

4-(2-azidoethoxy)-1,2-dichlorobenzene (PubChem CID 61397043) has the molecular formula C8H7Cl2N3O and a molecular weight of 232.07 g/mol. Its IUPAC name is 4-(2-azidoethoxy)-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-(2-azidoethoxy)-1,2-dichlorobenzene
PubChem CID61397043
Molecular FormulaC8H7Cl2N3O
Molecular Weight232.07 g/mol
Exact Mass231.00
IUPAC Name4-(2-azidoethoxy)-1,2-dichlorobenzene
SMILES[N-]=[N+]=NCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2N3O/c9-7-2-1-6(5-8(7)10)14-4-3-12-13-11/h1-2,5H,3-4H2
InChIKeyOLNNGLDVTQOTLZ-UHFFFAOYSA-N
XLogP3.68
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 53.68
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-(2-azidoethoxy)-1-chloro-2-fluorobenzene
CID 82716995
4-(2-azidoethoxy)pyridin-2-amine
CID 169237712
3-(3,4-dichlorophenoxy)propane-1-thiol
CID 79019672
4-(4-bromobutoxy)-1,2-dichlorobenzene
CID 18768634
[3-(2-azidoethoxy)phenyl]methanol
CID 59552460
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
1-(2-azidoethoxy)-2-bromo-4-methoxybenzene
CID 104708216
2-(3,4-dichlorophenoxy)ethyl methanesulfonate
CID 150853890
4-(bromomethoxy)-1,2-dichlorobenzene
CID 22961270
2-(2-azidoethoxy)-1-chloro-4-nitrobenzene
CID 63990768
1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 53348773
[4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 60999813

Frequently Asked Questions

What is the IUPAC name of 4-(2-azidoethoxy)-1,2-dichlorobenzene?
The IUPAC name of 4-(2-azidoethoxy)-1,2-dichlorobenzene (CID 61397043) is 4-(2-azidoethoxy)-1,2-dichlorobenzene.
What is the SMILES notation for 4-(2-azidoethoxy)-1,2-dichlorobenzene?
The canonical SMILES for 4-(2-azidoethoxy)-1,2-dichlorobenzene is [N-]=[N+]=NCCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(2-azidoethoxy)-1,2-dichlorobenzene?
The InChIKey is OLNNGLDVTQOTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3O/c9-7-2-1-6(5-8(7)10)14-4-3-12-13-11/h1-2,5H,3-4H2.
What are the key properties of 4-(2-azidoethoxy)-1,2-dichlorobenzene?
4-(2-azidoethoxy)-1,2-dichlorobenzene has a molecular weight of 232.07 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azidoethoxy)-1,2-dichlorobenzene is sourced from PubChem (CID 61397043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).