2-ethoxyethyl 2-hydroxybenzenecarboximidate

C11H15NO3 — CID 137099078

IUPAC2-ethoxyethyl 2-hydroxybenzenecarboximidate
SMILES[H]/N=C(\OCCOCC)c1ccccc1O
InChIInChI=1S/C11H15NO3/c1-2-14-7-8-15-11(12)9-5-3-4-6-10(9)13/h3-6,12-13H,2,7-8H2,1H3/b12-11-
InChIKeyZKSDFVHQWPHZMG-QXMHVHEDSA-N
MW209.25 g/mol
LogP1.77
Rot. Bonds5

About 2-ethoxyethyl 2-hydroxybenzenecarboximidate

2-ethoxyethyl 2-hydroxybenzenecarboximidate (PubChem CID 137099078) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-ethoxyethyl 2-hydroxybenzenecarboximidate.

Molecular Properties

Compound Name2-ethoxyethyl 2-hydroxybenzenecarboximidate
PubChem CID137099078
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-ethoxyethyl 2-hydroxybenzenecarboximidate
SMILES[H]/N=C(\OCCOCC)c1ccccc1O
InChIInChI=1S/C11H15NO3/c1-2-14-7-8-15-11(12)9-5-3-4-6-10(9)13/h3-6,12-13H,2,7-8H2,1H3/b12-11-
InChIKeyZKSDFVHQWPHZMG-QXMHVHEDSA-N
XLogP1.77
TPSA62.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,4-dihydroxybenzenecarboximidate;hydrochloride
CID 139034333
ethyl 3-(2-hydroxyphenyl)-3-iminopropanoate
CID 135692474
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684381
[4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl] 2-hydroxybenzenecarboximidate
CID 144541831
decyl 2-nitrobenzenecarboximidate
CID 11722704
2-ethoxyethyl 2-amino-2-phenylacetate
CID 61278418
ethanol;ethoxyethane;2-hydroxybenzoic acid
CID 69130253
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboximidamide
CID 55227687
ethoxyethane;prop-2-enyl 2-hydroxybenzoate
CID 68931624
2-(2-ethoxyethoxy)ethanimidamide
CID 24707447
2-(2-hydroxyethanimidoyl)phenol
CID 175349656

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-hydroxybenzenecarboximidate?
The IUPAC name of 2-ethoxyethyl 2-hydroxybenzenecarboximidate (CID 137099078) is 2-ethoxyethyl 2-hydroxybenzenecarboximidate.
What is the SMILES notation for 2-ethoxyethyl 2-hydroxybenzenecarboximidate?
The canonical SMILES for 2-ethoxyethyl 2-hydroxybenzenecarboximidate is [H]/N=C(\OCCOCC)c1ccccc1O.
What is the InChIKey of 2-ethoxyethyl 2-hydroxybenzenecarboximidate?
The InChIKey is ZKSDFVHQWPHZMG-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-14-7-8-15-11(12)9-5-3-4-6-10(9)13/h3-6,12-13H,2,7-8H2,1H3/b12-11-.
What are the key properties of 2-ethoxyethyl 2-hydroxybenzenecarboximidate?
2-ethoxyethyl 2-hydroxybenzenecarboximidate has a molecular weight of 209.25 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-hydroxybenzenecarboximidate is sourced from PubChem (CID 137099078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).