methyl 2-(4-methoxyphenyl)imino-2-phenylacetate

C16H15NO3 — CID 11659050

IUPACmethyl 2-(4-methoxyphenyl)imino-2-phenylacetate
SMILESCOC(=O)/C(=N\c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-19-14-10-8-13(9-11-14)17-15(16(18)20-2)12-6-4-3-5-7-12/h3-11H,1-2H3/b17-15-
InChIKeyXQYMGWCZXPRAGQ-ICFOKQHNSA-N
MW269.30 g/mol
LogP2.99
Rot. Bonds4

About methyl 2-(4-methoxyphenyl)imino-2-phenylacetate

methyl 2-(4-methoxyphenyl)imino-2-phenylacetate (PubChem CID 11659050) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)imino-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)imino-2-phenylacetate
PubChem CID11659050
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethyl 2-(4-methoxyphenyl)imino-2-phenylacetate
SMILESCOC(=O)/C(=N\c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-19-14-10-8-13(9-11-14)17-15(16(18)20-2)12-6-4-3-5-7-12/h3-11H,1-2H3/b17-15-
InChIKeyXQYMGWCZXPRAGQ-ICFOKQHNSA-N
XLogP2.99
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 102078697
methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135079465
2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide
CID 122363330
methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate
CID 88699654
ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
CID 11370410
ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 45102978
ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135078809
methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate
CID 101149814
1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine
CID 101158528
(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide
CID 135399881
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
methyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate
CID 15192270

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)imino-2-phenylacetate?
The IUPAC name of methyl 2-(4-methoxyphenyl)imino-2-phenylacetate (CID 11659050) is methyl 2-(4-methoxyphenyl)imino-2-phenylacetate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)imino-2-phenylacetate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)imino-2-phenylacetate is COC(=O)/C(=N\c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of methyl 2-(4-methoxyphenyl)imino-2-phenylacetate?
The InChIKey is XQYMGWCZXPRAGQ-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-14-10-8-13(9-11-14)17-15(16(18)20-2)12-6-4-3-5-7-12/h3-11H,1-2H3/b17-15-.
What are the key properties of methyl 2-(4-methoxyphenyl)imino-2-phenylacetate?
methyl 2-(4-methoxyphenyl)imino-2-phenylacetate has a molecular weight of 269.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)imino-2-phenylacetate is sourced from PubChem (CID 11659050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).