azane;2-methoxyethyl benzoate

C10H15NO3 — CID 174560204

IUPACazane;2-methoxyethyl benzoate
SMILESCOCCOC(=O)c1ccccc1.N
InChIInChI=1S/C10H12O3.H3N/c1-12-7-8-13-10(11)9-5-3-2-4-6-9;/h2-6H,7-8H2,1H3;1H3
InChIKeyDORFUGVYLGZBOB-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.65
Rot. Bonds4

About azane;2-methoxyethyl benzoate

azane;2-methoxyethyl benzoate (PubChem CID 174560204) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is azane;2-methoxyethyl benzoate.

Molecular Properties

Compound Nameazane;2-methoxyethyl benzoate
PubChem CID174560204
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameazane;2-methoxyethyl benzoate
SMILESCOCCOC(=O)c1ccccc1.N
InChIInChI=1S/C10H12O3.H3N/c1-12-7-8-13-10(11)9-5-3-2-4-6-9;/h2-6H,7-8H2,1H3;1H3
InChIKeyDORFUGVYLGZBOB-UHFFFAOYSA-N
XLogP1.65
TPSA70.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 4-benzoyloxybenzoate
CID 17162027
2-benzoyloxyethyl benzoate;ethene
CID 67969171
2-methoxyethoxymethyl benzoate
CID 11275823
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-dimethoxyphosphorylethyl benzoate
CID 174516392
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
2,2-bis(2-methoxyethoxy)ethyl benzoate
CID 10236485
benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
CID 162019063
3-oxobutyl benzoate
CID 10899468
(111C)butyl benzoate
CID 11994383
2-(aminomethoxy)ethyl benzoate
CID 89228347

Frequently Asked Questions

What is the IUPAC name of azane;2-methoxyethyl benzoate?
The IUPAC name of azane;2-methoxyethyl benzoate (CID 174560204) is azane;2-methoxyethyl benzoate.
What is the SMILES notation for azane;2-methoxyethyl benzoate?
The canonical SMILES for azane;2-methoxyethyl benzoate is COCCOC(=O)c1ccccc1.N.
What is the InChIKey of azane;2-methoxyethyl benzoate?
The InChIKey is DORFUGVYLGZBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.H3N/c1-12-7-8-13-10(11)9-5-3-2-4-6-9;/h2-6H,7-8H2,1H3;1H3.
What are the key properties of azane;2-methoxyethyl benzoate?
azane;2-methoxyethyl benzoate has a molecular weight of 197.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methoxyethyl benzoate is sourced from PubChem (CID 174560204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).