methyl 2-[3-(hydroxyiminomethyl)phenyl]acetate

C10H11NO3 — CID 86082694

IUPACmethyl 2-[3-(hydroxyiminomethyl)phenyl]acetate
SMILESCOC(=O)Cc1cccc(C=NO)c1
InChIInChI=1S/C10H11NO3/c1-14-10(12)6-8-3-2-4-9(5-8)7-11-13/h2-5,7,13H,6H2,1H3
InChIKeyAJYNWVWOIWHHAE-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.21
Rot. Bonds3

About methyl 2-[3-(hydroxyiminomethyl)phenyl]acetate

methyl 2-[3-(hydroxyiminomethyl)phenyl]acetate (PubChem CID 86082694) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 2-[3-(hydroxyiminomethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(hydroxyiminomethyl)phenyl]acetate
PubChem CID86082694
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 2-[3-(hydroxyiminomethyl)phenyl]acetate
SMILESCOC(=O)Cc1cccc(C=NO)c1
InChIInChI=1S/C10H11NO3/c1-14-10(12)6-8-3-2-4-9(5-8)7-11-13/h2-5,7,13H,6H2,1H3
InChIKeyAJYNWVWOIWHHAE-UHFFFAOYSA-N
XLogP1.21
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

methyl 2-[3-(3-aminoprop-1-enyl)phenyl]acetate
CID 169464038
methyl 2-[3-(4-hydroxybut-1-enyl)phenyl]acetate
CID 170477090
methyl 4-[3-(hydroxyiminomethyl)phenyl]but-3-ynoate
CID 170469560
methyl 2-[3-[4-(methylamino)but-1-enyl]phenyl]acetate
CID 170496282
2-[3-(2-methoxy-2-oxoethyl)phenyl]ethanethioic S-acid
CID 87853811
methyl 2-[3-(methoxymethyl)phenyl]acetate
CID 131730198
methyl 2-(3-propylphenyl)acetate
CID 89333992
methyl 2-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]acetate
CID 169468041
methyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide
CID 87916986
formamide;methyl 2-(3-phenylphenyl)acetate
CID 169199106
CID 172801156
CID 172801156
methyl 2-[3-(methylsulfinylmethyl)phenyl]acetate
CID 144641102

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(hydroxyiminomethyl)phenyl]acetate?
The IUPAC name of methyl 2-[3-(hydroxyiminomethyl)phenyl]acetate (CID 86082694) is methyl 2-[3-(hydroxyiminomethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[3-(hydroxyiminomethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[3-(hydroxyiminomethyl)phenyl]acetate is COC(=O)Cc1cccc(C=NO)c1.
What is the InChIKey of methyl 2-[3-(hydroxyiminomethyl)phenyl]acetate?
The InChIKey is AJYNWVWOIWHHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-10(12)6-8-3-2-4-9(5-8)7-11-13/h2-5,7,13H,6H2,1H3.
What are the key properties of methyl 2-[3-(hydroxyiminomethyl)phenyl]acetate?
methyl 2-[3-(hydroxyiminomethyl)phenyl]acetate has a molecular weight of 193.20 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(hydroxyiminomethyl)phenyl]acetate is sourced from PubChem (CID 86082694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).