1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene

C10H10ClN3O — CID 177336564

IUPAC1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1cc(Cl)ccc1N=[N+]=[N-]
InChIInChI=1S/C10H10ClN3O/c1-7(2)6-15-10-5-8(11)3-4-9(10)13-14-12/h3-5H,1,6H2,2H3
InChIKeyUHPAHYMINGYYIX-UHFFFAOYSA-N
MW223.66 g/mol
LogP4.24
Rot. Bonds4

About 1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene

1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene (PubChem CID 177336564) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene.

Molecular Properties

Compound Name1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene
PubChem CID177336564
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1cc(Cl)ccc1N=[N+]=[N-]
InChIInChI=1S/C10H10ClN3O/c1-7(2)6-15-10-5-8(11)3-4-9(10)13-14-12/h3-5H,1,6H2,2H3
InChIKeyUHPAHYMINGYYIX-UHFFFAOYSA-N
XLogP4.24
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 54.24
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene
CID 68967130
2-azido-5-chlorobenzenethiol
CID 150684817
4-chloro-1-(2-methylprop-2-enoxy)-2-nitrobenzene
CID 46850457
1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene
CID 154157151
2-methylprop-2-enyl 2-(2,4-dichlorophenoxy)acetate
CID 170555198
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63057553
2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 114321489
1-(2-azidoethoxy)-4-chloro-2-methylbenzene
CID 61397078
1,4-dichloro-2-(2,2-dimethylpropoxy)benzene
CID 66988103
1-azido-4-chloro-2-(3,3-dimethylbut-1-ynyl)benzene
CID 141454336
2-azido-4-chlorobenzenecarbothioamide
CID 169326578

Frequently Asked Questions

What is the IUPAC name of 1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene?
The IUPAC name of 1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene (CID 177336564) is 1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene.
What is the SMILES notation for 1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene?
The canonical SMILES for 1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene is C=C(C)COc1cc(Cl)ccc1N=[N+]=[N-].
What is the InChIKey of 1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene?
The InChIKey is UHPAHYMINGYYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-7(2)6-15-10-5-8(11)3-4-9(10)13-14-12/h3-5H,1,6H2,2H3.
What are the key properties of 1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene?
1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene has a molecular weight of 223.66 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-chloro-2-(2-methylprop-2-enoxy)benzene is sourced from PubChem (CID 177336564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).