4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene

C12H17N3O4 — CID 91622888

IUPAC4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene
SMILESCCOC(OC)Oc1ccc(CN=[N+]=[N-])cc1OC
InChIInChI=1S/C12H17N3O4/c1-4-18-12(17-3)19-10-6-5-9(8-14-15-13)7-11(10)16-2/h5-7,12H,4,8H2,1-3H3
InChIKeyRAFUYNFONQHQFP-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.85
Rot. Bonds8

About 4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene

4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene (PubChem CID 91622888) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene.

Molecular Properties

Compound Name4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene
PubChem CID91622888
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene
SMILESCCOC(OC)Oc1ccc(CN=[N+]=[N-])cc1OC
InChIInChI=1S/C12H17N3O4/c1-4-18-12(17-3)19-10-6-5-9(8-14-15-13)7-11(10)16-2/h5-7,12H,4,8H2,1-3H3
InChIKeyRAFUYNFONQHQFP-UHFFFAOYSA-N
XLogP2.85
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethoxyethoxy)-4-(isothiocyanatomethyl)-2-methoxybenzene
CID 10754314
[4-(azidomethyl)-2-methoxyphenyl] 2,2-dimethylpropanoate
CID 101457350
4-(azidomethyl)-2-methoxybenzenesulfonamide
CID 59667698
5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine
CID 167696388
1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene
CID 167439814
4-(3-azidobutyl)-1,2-dimethoxybenzene
CID 10561738
4-(2-azidoethyl)-2-methoxyphenol;methane
CID 167709362
[4-(2-azidoethoxy)-3-methoxyphenyl]methanol
CID 20769149
4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene
CID 16637893
(2S)-2-azido-3-(3,4-dimethoxyphenyl)propanoic acid
CID 170206391
[4-(3-azidopropoxy)-3-methoxyphenyl]methanol
CID 107744213
2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine
CID 110893217

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene?
The IUPAC name of 4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene (CID 91622888) is 4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene.
What is the SMILES notation for 4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene?
The canonical SMILES for 4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene is CCOC(OC)Oc1ccc(CN=[N+]=[N-])cc1OC.
What is the InChIKey of 4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene?
The InChIKey is RAFUYNFONQHQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-4-18-12(17-3)19-10-6-5-9(8-14-15-13)7-11(10)16-2/h5-7,12H,4,8H2,1-3H3.
What are the key properties of 4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene?
4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene has a molecular weight of 267.29 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene is sourced from PubChem (CID 91622888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).