2-azidooxy-4-methyl-1-propan-2-ylbenzene

C10H13N3O — CID 91157951

IUPAC2-azidooxy-4-methyl-1-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)c(ON=[N+]=[N-])c1
InChIInChI=1S/C10H13N3O/c1-7(2)9-5-4-8(3)6-10(9)14-13-12-11/h4-7H,1-3H3
InChIKeyUNZJKOIZHVGWMA-UHFFFAOYSA-N
MW191.23 g/mol
LogP3.72
Rot. Bonds3

About 2-azidooxy-4-methyl-1-propan-2-ylbenzene

2-azidooxy-4-methyl-1-propan-2-ylbenzene (PubChem CID 91157951) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-azidooxy-4-methyl-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-azidooxy-4-methyl-1-propan-2-ylbenzene
PubChem CID91157951
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-azidooxy-4-methyl-1-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)c(ON=[N+]=[N-])c1
InChIInChI=1S/C10H13N3O/c1-7(2)9-5-4-8(3)6-10(9)14-13-12-11/h4-7H,1-3H3
InChIKeyUNZJKOIZHVGWMA-UHFFFAOYSA-N
XLogP3.72
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 53.72
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-methylperoxy-1-propan-2-ylbenzene
CID 135233977
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
ethyl (5-methyl-2-propan-2-ylphenyl) carbonate
CID 162444144
methyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate
CID 174605575
butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium
CID 2581375
1-azido-2-methoxy-4-methylbenzene
CID 152671087
2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
CID 5262022
2-[2,2-dichloro-1-fluoro-1-(5-methyl-2-propan-2-ylphenoxy)ethoxy]-4-methyl-1-propan-2-ylbenzene
CID 155930094
3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine
CID 57266754
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241
[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688609
3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63506069

Frequently Asked Questions

What is the IUPAC name of 2-azidooxy-4-methyl-1-propan-2-ylbenzene?
The IUPAC name of 2-azidooxy-4-methyl-1-propan-2-ylbenzene (CID 91157951) is 2-azidooxy-4-methyl-1-propan-2-ylbenzene.
What is the SMILES notation for 2-azidooxy-4-methyl-1-propan-2-ylbenzene?
The canonical SMILES for 2-azidooxy-4-methyl-1-propan-2-ylbenzene is Cc1ccc(C(C)C)c(ON=[N+]=[N-])c1.
What is the InChIKey of 2-azidooxy-4-methyl-1-propan-2-ylbenzene?
The InChIKey is UNZJKOIZHVGWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(2)9-5-4-8(3)6-10(9)14-13-12-11/h4-7H,1-3H3.
What are the key properties of 2-azidooxy-4-methyl-1-propan-2-ylbenzene?
2-azidooxy-4-methyl-1-propan-2-ylbenzene has a molecular weight of 191.23 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidooxy-4-methyl-1-propan-2-ylbenzene is sourced from PubChem (CID 91157951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).