2-azido-1-(4-methoxy-2-methylphenyl)ethanone

C10H11N3O2 — CID 98883097

IUPAC2-azido-1-(4-methoxy-2-methylphenyl)ethanone
SMILESCOc1ccc(C(=O)CN=[N+]=[N-])c(C)c1
InChIInChI=1S/C10H11N3O2/c1-7-5-8(15-2)3-4-9(7)10(14)6-12-13-11/h3-5H,6H2,1-2H3
InChIKeyZNZNZAUPTWQBTO-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.50
Rot. Bonds4

About 2-azido-1-(4-methoxy-2-methylphenyl)ethanone

2-azido-1-(4-methoxy-2-methylphenyl)ethanone (PubChem CID 98883097) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-azido-1-(4-methoxy-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-azido-1-(4-methoxy-2-methylphenyl)ethanone
PubChem CID98883097
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-azido-1-(4-methoxy-2-methylphenyl)ethanone
SMILESCOc1ccc(C(=O)CN=[N+]=[N-])c(C)c1
InChIInChI=1S/C10H11N3O2/c1-7-5-8(15-2)3-4-9(7)10(14)6-12-13-11/h3-5H,6H2,1-2H3
InChIKeyZNZNZAUPTWQBTO-UHFFFAOYSA-N
XLogP2.50
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814
(4-methoxyphenyl) 2-azidoacetate
CID 154028305
1-(2-azidoethyl)-4-methoxy-2-methylbenzene
CID 151451429
1-(4-methoxy-2-methylphenyl)-2-propoxyethanone
CID 65313550
5-bromo-1-(4-methoxy-2-methylphenyl)pentan-1-one
CID 146007236
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 105084772
1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346
1-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)prop-2-yn-1-one
CID 18182744
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
ethyl (Z)-4-azido-3-(4-methoxyphenyl)but-2-enoate
CID 102183878
4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(4-methoxy-2-methylphenyl)ethanone?
The IUPAC name of 2-azido-1-(4-methoxy-2-methylphenyl)ethanone (CID 98883097) is 2-azido-1-(4-methoxy-2-methylphenyl)ethanone.
What is the SMILES notation for 2-azido-1-(4-methoxy-2-methylphenyl)ethanone?
The canonical SMILES for 2-azido-1-(4-methoxy-2-methylphenyl)ethanone is COc1ccc(C(=O)CN=[N+]=[N-])c(C)c1.
What is the InChIKey of 2-azido-1-(4-methoxy-2-methylphenyl)ethanone?
The InChIKey is ZNZNZAUPTWQBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7-5-8(15-2)3-4-9(7)10(14)6-12-13-11/h3-5H,6H2,1-2H3.
What are the key properties of 2-azido-1-(4-methoxy-2-methylphenyl)ethanone?
2-azido-1-(4-methoxy-2-methylphenyl)ethanone has a molecular weight of 205.22 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(4-methoxy-2-methylphenyl)ethanone is sourced from PubChem (CID 98883097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).