1-(1-azidoethyl)-4-methoxybenzene

C9H11N3O — CID 13330258

IUPAC1-(1-azidoethyl)-4-methoxybenzene
SMILESCOc1ccc(C(C)N=[N+]=[N-])cc1
InChIInChI=1S/C9H11N3O/c1-7(11-12-10)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3
InChIKeyLXNPYQZBMRIOFT-UHFFFAOYSA-N
MW177.21 g/mol
LogP3.07
Rot. Bonds3

About 1-(1-azidoethyl)-4-methoxybenzene

1-(1-azidoethyl)-4-methoxybenzene (PubChem CID 13330258) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(1-azidoethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(1-azidoethyl)-4-methoxybenzene
PubChem CID13330258
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-(1-azidoethyl)-4-methoxybenzene
SMILESCOc1ccc(C(C)N=[N+]=[N-])cc1
InChIInChI=1S/C9H11N3O/c1-7(11-12-10)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3
InChIKeyLXNPYQZBMRIOFT-UHFFFAOYSA-N
XLogP3.07
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 53.07
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-azidoethyl]-2,4-dimethoxybenzene
CID 104853648
2-azido-2-(4-methoxyphenyl)acetic acid
CID 122606952
1-[(1R)-1-azidoethyl]-4-methylsulfanylbenzene
CID 104853523
4-(1-azidoethyl)pyridine
CID 18441931
2-azido-1-(4-methoxyphenyl)propane-1,3-diol
CID 121485278
2-azido-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
CID 10514834
1-[(1S)-1-isothiocyanatoethyl]-4-methoxybenzene
CID 7018251
1-(1-butan-2-yloxyethyl)-4-methoxybenzene
CID 101479468
methyl (2S,3S)-3-azido-2-bromo-3-(4-methoxyphenyl)propanoate
CID 101406820
(2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol
CID 11053274
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766

Frequently Asked Questions

What is the IUPAC name of 1-(1-azidoethyl)-4-methoxybenzene?
The IUPAC name of 1-(1-azidoethyl)-4-methoxybenzene (CID 13330258) is 1-(1-azidoethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(1-azidoethyl)-4-methoxybenzene?
The canonical SMILES for 1-(1-azidoethyl)-4-methoxybenzene is COc1ccc(C(C)N=[N+]=[N-])cc1.
What is the InChIKey of 1-(1-azidoethyl)-4-methoxybenzene?
The InChIKey is LXNPYQZBMRIOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7(11-12-10)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3.
What are the key properties of 1-(1-azidoethyl)-4-methoxybenzene?
1-(1-azidoethyl)-4-methoxybenzene has a molecular weight of 177.21 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azidoethyl)-4-methoxybenzene is sourced from PubChem (CID 13330258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).