methyl 2-(2-azidoethoxymethyl)benzoate

C11H13N3O3 — CID 170346138

IUPACmethyl 2-(2-azidoethoxymethyl)benzoate
SMILESCOC(=O)c1ccccc1COCCN=[N+]=[N-]
InChIInChI=1S/C11H13N3O3/c1-16-11(15)10-5-3-2-4-9(10)8-17-7-6-13-14-12/h2-5H,6-8H2,1H3
InChIKeyRLFLTHWBOUXPKA-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.30
Rot. Bonds6

About methyl 2-(2-azidoethoxymethyl)benzoate

methyl 2-(2-azidoethoxymethyl)benzoate (PubChem CID 170346138) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 2-(2-azidoethoxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-azidoethoxymethyl)benzoate
PubChem CID170346138
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Namemethyl 2-(2-azidoethoxymethyl)benzoate
SMILESCOC(=O)c1ccccc1COCCN=[N+]=[N-]
InChIInChI=1S/C11H13N3O3/c1-16-11(15)10-5-3-2-4-9(10)8-17-7-6-13-14-12/h2-5H,6-8H2,1H3
InChIKeyRLFLTHWBOUXPKA-UHFFFAOYSA-N
XLogP2.30
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze methyl 2-(2-azidoethoxymethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-azidoethoxymethyl)benzoic acid
CID 170346196
methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate
CID 145437677
methyl 2-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]benzoate
CID 134275170
ethane;methyl 2-(4-prop-2-enoxybutoxymethyl)benzoate
CID 145437949
2-O-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 58658121
methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate
CID 53410600
methyl 2-[[3-(azidomethyl)-4-fluorophenyl]methyl]benzoate
CID 57006779
methyl 4-(azidomethyl)naphthalene-1-carboxylate
CID 20763045
methyl 2-(propanoyloxymethyl)benzoate
CID 20717774
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154
ethane;methyl 2-(bromomethyl)benzoate
CID 90986523
2-azidoethoxymethylbenzene
CID 11116596

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-azidoethoxymethyl)benzoate?
The IUPAC name of methyl 2-(2-azidoethoxymethyl)benzoate (CID 170346138) is methyl 2-(2-azidoethoxymethyl)benzoate.
What is the SMILES notation for methyl 2-(2-azidoethoxymethyl)benzoate?
The canonical SMILES for methyl 2-(2-azidoethoxymethyl)benzoate is COC(=O)c1ccccc1COCCN=[N+]=[N-].
What is the InChIKey of methyl 2-(2-azidoethoxymethyl)benzoate?
The InChIKey is RLFLTHWBOUXPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-16-11(15)10-5-3-2-4-9(10)8-17-7-6-13-14-12/h2-5H,6-8H2,1H3.
What are the key properties of methyl 2-(2-azidoethoxymethyl)benzoate?
methyl 2-(2-azidoethoxymethyl)benzoate has a molecular weight of 235.24 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-azidoethoxymethyl)benzoate is sourced from PubChem (CID 170346138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).