methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate

C20H23NO4 — CID 139669242

IUPACmethyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate
SMILESCCCc1ccccc1OCc1ccccc1C(=NOC)C(=O)OC
InChIInChI=1S/C20H23NO4/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/h5-8,10-13H,4,9,14H2,1-3H3
InChIKeyLBZNVYDKFNHTQN-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.74
Rot. Bonds8

About methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate

methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate (PubChem CID 139669242) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate
PubChem CID139669242
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate
SMILESCCCc1ccccc1OCc1ccccc1C(=NOC)C(=O)OC
InChIInChI=1S/C20H23NO4/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/h5-8,10-13H,4,9,14H2,1-3H3
InChIKeyLBZNVYDKFNHTQN-UHFFFAOYSA-N
XLogP3.74
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.74
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-prop-1-enylphenoxy)methyl]phenyl]acetate
CID 139669238
methyl (2E)-2-[2-[(4-iodo-2-methylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 22864172
(2,5-dioxopyrrolidin-1-yl) 6-[2-[[2-[(E)-N-methoxy-C-methoxycarbonylcarbonimidoyl]phenyl]methoxy]phenyl]hexanoate
CID 72544816
methyl (2E)-2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 18649055
methyl 2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 54461346
methyl (2Z)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
CID 11064561
zinc;manganese(2+);methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
CID 173179399
methyl 2-[2-[[(1-chloro-2-methoxyiminobutylidene)amino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 85387157
methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
CID 85386374
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
methyl (2Z)-2-[2-[[2-chloro-4-(2,2-dichloroethenyl)phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 86648080

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate?
The IUPAC name of methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate (CID 139669242) is methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate is CCCc1ccccc1OCc1ccccc1C(=NOC)C(=O)OC.
What is the InChIKey of methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate?
The InChIKey is LBZNVYDKFNHTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/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/h5-8,10-13H,4,9,14H2,1-3H3.
What are the key properties of methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate?
methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate has a molecular weight of 341.41 g/mol, XLogP of 3.74, 8 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-propylphenoxy)methyl]phenyl]acetate is sourced from PubChem (CID 139669242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).