1-(2-azidoethoxy)-2-bromo-4-methoxybenzene

C9H10BrN3O2 — CID 104708216

IUPAC1-(2-azidoethoxy)-2-bromo-4-methoxybenzene
SMILESCOc1ccc(OCCN=[N+]=[N-])c(Br)c1
InChIInChI=1S/C9H10BrN3O2/c1-14-7-2-3-9(8(10)6-7)15-5-4-12-13-11/h2-3,6H,4-5H2,1H3
InChIKeyRNMGIANFYLMMMQ-UHFFFAOYSA-N
MW272.10 g/mol
LogP3.15
Rot. Bonds5

About 1-(2-azidoethoxy)-2-bromo-4-methoxybenzene

1-(2-azidoethoxy)-2-bromo-4-methoxybenzene (PubChem CID 104708216) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 1-(2-azidoethoxy)-2-bromo-4-methoxybenzene.

Molecular Properties

Compound Name1-(2-azidoethoxy)-2-bromo-4-methoxybenzene
PubChem CID104708216
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name1-(2-azidoethoxy)-2-bromo-4-methoxybenzene
SMILESCOc1ccc(OCCN=[N+]=[N-])c(Br)c1
InChIInChI=1S/C9H10BrN3O2/c1-14-7-2-3-9(8(10)6-7)15-5-4-12-13-11/h2-3,6H,4-5H2,1H3
InChIKeyRNMGIANFYLMMMQ-UHFFFAOYSA-N
XLogP3.15
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

2-(2-azidoethoxy)-4-bromo-1-methylbenzene
CID 107285403
[4-(2-azidoethoxy)-3-methoxyphenyl]methanol
CID 20769149
2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide
CID 104708667
2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 104707500
2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene
CID 104707383
2-bromo-4-methoxy-1-(4,4,4-trifluorobutoxy)benzene
CID 113443609
4-(2-bromo-4-methoxyphenoxy)butan-2-one
CID 104708081
3-(2-bromo-4-methoxyphenoxy)-N'-hydroxypropanimidamide
CID 104707785
[4-[2-(2-bromo-4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 104706837
3-(2-bromo-4-methoxyphenoxy)propanehydrazide
CID 104708593
5,12,19-tris(2-azidoethoxy)-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 53254613
2-bromo-4-methoxy-1-[2-(3-methylbutoxy)ethoxy]benzene
CID 104707260

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethoxy)-2-bromo-4-methoxybenzene?
The IUPAC name of 1-(2-azidoethoxy)-2-bromo-4-methoxybenzene (CID 104708216) is 1-(2-azidoethoxy)-2-bromo-4-methoxybenzene.
What is the SMILES notation for 1-(2-azidoethoxy)-2-bromo-4-methoxybenzene?
The canonical SMILES for 1-(2-azidoethoxy)-2-bromo-4-methoxybenzene is COc1ccc(OCCN=[N+]=[N-])c(Br)c1.
What is the InChIKey of 1-(2-azidoethoxy)-2-bromo-4-methoxybenzene?
The InChIKey is RNMGIANFYLMMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c1-14-7-2-3-9(8(10)6-7)15-5-4-12-13-11/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(2-azidoethoxy)-2-bromo-4-methoxybenzene?
1-(2-azidoethoxy)-2-bromo-4-methoxybenzene has a molecular weight of 272.10 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethoxy)-2-bromo-4-methoxybenzene is sourced from PubChem (CID 104708216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).