methyl (2Z)-2-methoxyimino-3-[3-(2-methylphenyl)phenyl]propanoate

C18H19NO3 — CID 139885014

IUPACmethyl (2Z)-2-methoxyimino-3-[3-(2-methylphenyl)phenyl]propanoate
SMILESCO/N=C(/Cc1cccc(-c2ccccc2C)c1)C(=O)OC
InChIInChI=1S/C18H19NO3/c1-13-7-4-5-10-16(13)15-9-6-8-14(11-15)12-17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17-
InChIKeyGEQCZZWQIBJVDB-ZPHPHTNESA-N
MW297.35 g/mol
LogP3.38
Rot. Bonds5

About methyl (2Z)-2-methoxyimino-3-[3-(2-methylphenyl)phenyl]propanoate

methyl (2Z)-2-methoxyimino-3-[3-(2-methylphenyl)phenyl]propanoate (PubChem CID 139885014) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl (2Z)-2-methoxyimino-3-[3-(2-methylphenyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl (2Z)-2-methoxyimino-3-[3-(2-methylphenyl)phenyl]propanoate
PubChem CID139885014
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl (2Z)-2-methoxyimino-3-[3-(2-methylphenyl)phenyl]propanoate
SMILESCO/N=C(/Cc1cccc(-c2ccccc2C)c1)C(=O)OC
InChIInChI=1S/C18H19NO3/c1-13-7-4-5-10-16(13)15-9-6-8-14(11-15)12-17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17-
InChIKeyGEQCZZWQIBJVDB-ZPHPHTNESA-N
XLogP3.38
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (2Z)-2-methoxyimino-3-[3-(2-methylphenyl)phenyl]propanoate?
The IUPAC name of methyl (2Z)-2-methoxyimino-3-[3-(2-methylphenyl)phenyl]propanoate (CID 139885014) is methyl (2Z)-2-methoxyimino-3-[3-(2-methylphenyl)phenyl]propanoate.
What is the SMILES notation for methyl (2Z)-2-methoxyimino-3-[3-(2-methylphenyl)phenyl]propanoate?
The canonical SMILES for methyl (2Z)-2-methoxyimino-3-[3-(2-methylphenyl)phenyl]propanoate is CO/N=C(/Cc1cccc(-c2ccccc2C)c1)C(=O)OC.
What is the InChIKey of methyl (2Z)-2-methoxyimino-3-[3-(2-methylphenyl)phenyl]propanoate?
The InChIKey is GEQCZZWQIBJVDB-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-7-4-5-10-16(13)15-9-6-8-14(11-15)12-17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17-.
What are the key properties of methyl (2Z)-2-methoxyimino-3-[3-(2-methylphenyl)phenyl]propanoate?
methyl (2Z)-2-methoxyimino-3-[3-(2-methylphenyl)phenyl]propanoate has a molecular weight of 297.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-methoxyimino-3-[3-(2-methylphenyl)phenyl]propanoate is sourced from PubChem (CID 139885014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).