[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate

C10H11NO4 — CID 4619738

IUPAC[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate
SMILESCOc1cc(C=NO)ccc1OC(C)=O
InChIInChI=1S/C10H11NO4/c1-7(12)15-9-4-3-8(6-11-13)5-10(9)14-2/h3-6,13H,1-2H3
InChIKeyZGDMTTBRZGXHJQ-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.43
Rot. Bonds3

About [4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate

[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate (PubChem CID 4619738) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is [4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate
PubChem CID4619738
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate
SMILESCOc1cc(C=NO)ccc1OC(C)=O
InChIInChI=1S/C10H11NO4/c1-7(12)15-9-4-3-8(6-11-13)5-10(9)14-2/h3-6,13H,1-2H3
InChIKeyZGDMTTBRZGXHJQ-UHFFFAOYSA-N
XLogP1.43
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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

[4-[(E,3E)-3-hydroxyiminoprop-1-enyl]-2-methoxyphenyl] acetate
CID 14578558
[4-[[5-[(4-acetyloxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-2-methoxyphenyl] acetate
CID 1381563
[4-(hydroxyiminomethyl)-2-methoxyphenyl] furan-2-carboxylate
CID 23822868
[4-[(E)-3-chloro-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 10858041
5-[(E)-hydroxyiminomethyl]-2-methoxybenzoic acid
CID 126055980
[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 6323018
[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenyl] acetate
CID 9012463
[4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate
CID 11264939
3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate
CID 613644
2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid
CID 87800721
[4-[(Z)-[(3,4-dimethoxyphenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 9216189
[2-methoxy-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]phenyl] acetate
CID 8972472

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate?
The IUPAC name of [4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate (CID 4619738) is [4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate?
The canonical SMILES for [4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate is COc1cc(C=NO)ccc1OC(C)=O.
What is the InChIKey of [4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate?
The InChIKey is ZGDMTTBRZGXHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-7(12)15-9-4-3-8(6-11-13)5-10(9)14-2/h3-6,13H,1-2H3.
What are the key properties of [4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate?
[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate has a molecular weight of 209.20 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate is sourced from PubChem (CID 4619738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).