methyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate

C20H21NO4 — CID 139669238

IUPACmethyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate
SMILESCC=Cc1ccccc1OCc1ccccc1C(=NOC)C(=O)OC
InChIInChI=1S/C20H21NO4/c1-4-9-15-10-6-8-13-18(15)25-14-16-11-5-7-12-17(16)19(21-24-3)20(22)23-2/h4-13H,14H2,1-3H3
InChIKeyYNVBOTMHIKNSEA-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.82
Rot. Bonds7

About methyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate

methyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate (PubChem CID 139669238) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate
PubChem CID139669238
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namemethyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate
SMILESCC=Cc1ccccc1OCc1ccccc1C(=NOC)C(=O)OC
InChIInChI=1S/C20H21NO4/c1-4-9-15-10-6-8-13-18(15)25-14-16-11-5-7-12-17(16)19(21-24-3)20(22)23-2/h4-13H,14H2,1-3H3
InChIKeyYNVBOTMHIKNSEA-UHFFFAOYSA-N
XLogP3.82
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
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

methyl 2-methoxyimino-2-[2-[(2-methoxyphenoxy)methyl]phenyl]acetate
CID 139669220
methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate
CID 139669242
methyl (2E)-2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 18649055
methyl 2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 54461346
methyl (2E)-2-[2-[(4-iodo-2-methylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 22864172
methyl 2-[2-[[5-bromo-2-(2,2-dichloroethenyl)phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 91410804
methyl (2E)-2-[2-[[2-(2,2-dichloroethenyl)-6-methylphenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 87559356
methyl 2-methoxyimino-2-[2-(3-oxoprop-1-enyl)phenyl]acetate
CID 54460534
methyl (2Z)-2-[2-[[2-chloro-4-(2,2-dichloroethenyl)phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 86648080
methyl (2E)-2-[2-[[5-(2,2-dichloroethenyl)-2-methoxyphenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 87558083
methyl (2Z)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
CID 11064561
methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 142667829

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate?
The IUPAC name of methyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate (CID 139669238) is methyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate is CC=Cc1ccccc1OCc1ccccc1C(=NOC)C(=O)OC.
What is the InChIKey of methyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate?
The InChIKey is YNVBOTMHIKNSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-4-9-15-10-6-8-13-18(15)25-14-16-11-5-7-12-17(16)19(21-24-3)20(22)23-2/h4-13H,14H2,1-3H3.
What are the key properties of methyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate?
methyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate has a molecular weight of 339.39 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxyimino-2-[2-[(2-prop-1-enylphenoxy)methyl]phenyl]acetate is sourced from PubChem (CID 139669238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).