methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate

C17H17NO4 — CID 86754441

IUPACmethyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccccc1CO/N=C\c1ccccc1
InChIInChI=1S/C17H17NO4/c1-21-17(20)16(19)15-10-6-5-9-14(15)12-22-18-11-13-7-3-2-4-8-13/h2-11,16,19H,12H2,1H3/b18-11-
InChIKeyUFRVSNLOOCJHDW-WQRHYEAKSA-N
MW299.33 g/mol
LogP2.44
Rot. Bonds6

About methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate

methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate (PubChem CID 86754441) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate
PubChem CID86754441
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccccc1CO/N=C\c1ccccc1
InChIInChI=1S/C17H17NO4/c1-21-17(20)16(19)15-10-6-5-9-14(15)12-22-18-11-13-7-3-2-4-8-13/h2-11,16,19H,12H2,1H3/b18-11-
InChIKeyUFRVSNLOOCJHDW-WQRHYEAKSA-N
XLogP2.44
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

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methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
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CID 90800488
methyl 2-[2-[(benzylideneamino)oxymethyl]phenyl]-2-methoxyiminoacetate
CID 72606228
methyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate
CID 117325267
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methyl 2-(benzylideneamino)-4-methylpentanoate
CID 599873
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
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ethyl acetate;(E)-N-methoxy-1-phenylmethanimine
CID 174391278
2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
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methyl 2-hydroxy-2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]acetate
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methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
CID 134694409

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate (CID 86754441) is methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate is COC(=O)C(O)c1ccccc1CO/N=C\c1ccccc1.
What is the InChIKey of methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate?
The InChIKey is UFRVSNLOOCJHDW-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H17NO4/c1-21-17(20)16(19)15-10-6-5-9-14(15)12-22-18-11-13-7-3-2-4-8-13/h2-11,16,19H,12H2,1H3/b18-11-.
What are the key properties of methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate?
methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate has a molecular weight of 299.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate is sourced from PubChem (CID 86754441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).