[4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate

C13H15NO5 — CID 86004136

IUPAC[4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate
SMILESCCOc1cc(C=NOC(C)=O)ccc1OC(C)=O
InChIInChI=1S/C13H15NO5/c1-4-17-13-7-11(8-14-19-10(3)16)5-6-12(13)18-9(2)15/h5-8H,4H2,1-3H3
InChIKeySKFULUMRJAKQMO-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.91
Rot. Bonds5

About [4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate

[4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate (PubChem CID 86004136) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is [4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate.

Molecular Properties

Compound Name[4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate
PubChem CID86004136
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name[4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate
SMILESCCOc1cc(C=NOC(C)=O)ccc1OC(C)=O
InChIInChI=1S/C13H15NO5/c1-4-17-13-7-11(8-14-19-10(3)16)5-6-12(13)18-9(2)15/h5-8H,4H2,1-3H3
InChIKeySKFULUMRJAKQMO-UHFFFAOYSA-N
XLogP1.91
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate
CID 46865359
[4-[[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]iminomethyl]-2-ethoxyphenyl] acetate
CID 126409244
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide
CID 1223156
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 9120925
[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate
CID 4619738
3-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]prop-2-enoic acid
CID 57361203
methyl (2E)-2-[(2Z)-2-[(4-acetyloxy-3-ethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 172924390
(E)-4-(3,4-diethoxyphenyl)but-3-enoic acid
CID 102534267
3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603194
(2-ethoxy-4-methanehydrazonoylphenyl) furan-2-carboxylate
CID 168530496

Frequently Asked Questions

What is the IUPAC name of [4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate?
The IUPAC name of [4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate (CID 86004136) is [4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate.
What is the SMILES notation for [4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate?
The canonical SMILES for [4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate is CCOc1cc(C=NOC(C)=O)ccc1OC(C)=O.
What is the InChIKey of [4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate?
The InChIKey is SKFULUMRJAKQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-4-17-13-7-11(8-14-19-10(3)16)5-6-12(13)18-9(2)15/h5-8H,4H2,1-3H3.
What are the key properties of [4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate?
[4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate has a molecular weight of 265.26 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate is sourced from PubChem (CID 86004136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).