methyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate

C20H20N2O6 — CID 142645481

IUPACmethyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate
SMILESCON=C1COc2cc(OCc3ccccc3/C(=N\OC)C(=O)OC)ccc21
InChIInChI=1S/C20H20N2O6/c1-24-20(23)19(22-26-3)15-7-5-4-6-13(15)11-27-14-8-9-16-17(21-25-2)12-28-18(16)10-14/h4-10H,11-12H2,1-3H3/b21-17?,22-19+
InChIKeyXOPGPRGNISGKOT-DHPLLFAMSA-N
MW384.39 g/mol
LogP2.53
Rot. Bonds7

About methyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate

methyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate (PubChem CID 142645481) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is methyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate
PubChem CID142645481
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Namemethyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate
SMILESCON=C1COc2cc(OCc3ccccc3/C(=N\OC)C(=O)OC)ccc21
InChIInChI=1S/C20H20N2O6/c1-24-20(23)19(22-26-3)15-7-5-4-6-13(15)11-27-14-8-9-16-17(21-25-2)12-28-18(16)10-14/h4-10H,11-12H2,1-3H3/b21-17?,22-19+
InChIKeyXOPGPRGNISGKOT-DHPLLFAMSA-N
XLogP2.53
TPSA87.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

methyl (1E)-N-methoxy-2-[2-[[(3E)-3-methoxyimino-1-benzofuran-6-yl]oxymethyl]phenyl]ethanimidate
CID 11760424
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide
CID 22457454
methyl (2E)-2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 18649055
methyl 2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 54461346
methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 142667829
methyl (2Z)-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]acetate
CID 5472357
methyl 2-[2-[[3-chloro-4-(2,2-dichloroethenyl)phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 90963978
methyl (2E)-2-[2-[[3-chloro-4-(2,2-dichloroethenyl)phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 87558796
methyl 2-[2-[[4-(2,2-dichloroethenyl)phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 90795035
methyl 2-methoxyimino-2-[2-[(2-methoxyphenoxy)methyl]phenyl]acetate
CID 139669220
methyl (2E)-2-[2-[(4-but-3-yn-2-yloxy-3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 87774853
methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate
CID 139669242

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate?
The IUPAC name of methyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate (CID 142645481) is methyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate.
What is the SMILES notation for methyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate?
The canonical SMILES for methyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate is CON=C1COc2cc(OCc3ccccc3/C(=N\OC)C(=O)OC)ccc21.
What is the InChIKey of methyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate?
The InChIKey is XOPGPRGNISGKOT-DHPLLFAMSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-24-20(23)19(22-26-3)15-7-5-4-6-13(15)11-27-14-8-9-16-17(21-25-2)12-28-18(16)10-14/h4-10H,11-12H2,1-3H3/b21-17?,22-19+.
What are the key properties of methyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate?
methyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate has a molecular weight of 384.39 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate is sourced from PubChem (CID 142645481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).