methyl 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate

C10H11NO4 — CID 71952988

IUPACmethyl 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(O)cc1)=NO
InChIInChI=1S/C10H11NO4/c1-15-10(13)9(11-14)6-7-2-4-8(12)5-3-7/h2-5,12,14H,6H2,1H3
InChIKeyYPSPDGUMPSSYDS-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.94
Rot. Bonds3

About methyl 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate

methyl 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate (PubChem CID 71952988) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate
PubChem CID71952988
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(O)cc1)=NO
InChIInChI=1S/C10H11NO4/c1-15-10(13)9(11-14)6-7-2-4-8(12)5-3-7/h2-5,12,14H,6H2,1H3
InChIKeyYPSPDGUMPSSYDS-UHFFFAOYSA-N
XLogP0.94
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.94
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of methyl 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate (CID 71952988) is methyl 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate is COC(=O)C(Cc1ccc(O)cc1)=NO.
What is the InChIKey of methyl 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate?
The InChIKey is YPSPDGUMPSSYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-10(13)9(11-14)6-7-2-4-8(12)5-3-7/h2-5,12,14H,6H2,1H3.
What are the key properties of methyl 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate?
methyl 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate has a molecular weight of 209.20 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 71952988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).