4-(2-azidoethyl)-2-methoxyphenol;methane

C10H15N3O2 — CID 167709362

IUPAC4-(2-azidoethyl)-2-methoxyphenol;methane
SMILESC.COc1cc(CCN=[N+]=[N-])ccc1O
InChIInChI=1S/C9H11N3O2.CH4/c1-14-9-6-7(2-3-8(9)13)4-5-11-12-10;/h2-3,6,13H,4-5H2,1H3;1H4
InChIKeyZOUZVJPMAJKRDL-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.89
Rot. Bonds4

About 4-(2-azidoethyl)-2-methoxyphenol;methane

4-(2-azidoethyl)-2-methoxyphenol;methane (PubChem CID 167709362) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(2-azidoethyl)-2-methoxyphenol;methane.

Molecular Properties

Compound Name4-(2-azidoethyl)-2-methoxyphenol;methane
PubChem CID167709362
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(2-azidoethyl)-2-methoxyphenol;methane
SMILESC.COc1cc(CCN=[N+]=[N-])ccc1O
InChIInChI=1S/C9H11N3O2.CH4/c1-14-9-6-7(2-3-8(9)13)4-5-11-12-10;/h2-3,6,13H,4-5H2,1H3;1H4
InChIKeyZOUZVJPMAJKRDL-UHFFFAOYSA-N
XLogP2.89
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
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-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene
CID 167439814
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
CID 10883331
4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol
CID 10845923
4-(4-hydroxy-3-methoxyphenyl)butanenitrile
CID 53434569
4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
1,7-bis(4-hydroxy-3-methoxyphenyl)-4,4-dimethylheptane-3,5-diol
CID 163420206
bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate
CID 164613132

Frequently Asked Questions

What is the IUPAC name of 4-(2-azidoethyl)-2-methoxyphenol;methane?
The IUPAC name of 4-(2-azidoethyl)-2-methoxyphenol;methane (CID 167709362) is 4-(2-azidoethyl)-2-methoxyphenol;methane.
What is the SMILES notation for 4-(2-azidoethyl)-2-methoxyphenol;methane?
The canonical SMILES for 4-(2-azidoethyl)-2-methoxyphenol;methane is C.COc1cc(CCN=[N+]=[N-])ccc1O.
What is the InChIKey of 4-(2-azidoethyl)-2-methoxyphenol;methane?
The InChIKey is ZOUZVJPMAJKRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2.CH4/c1-14-9-6-7(2-3-8(9)13)4-5-11-12-10;/h2-3,6,13H,4-5H2,1H3;1H4.
What are the key properties of 4-(2-azidoethyl)-2-methoxyphenol;methane?
4-(2-azidoethyl)-2-methoxyphenol;methane has a molecular weight of 209.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azidoethyl)-2-methoxyphenol;methane is sourced from PubChem (CID 167709362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).