ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate

C12H15NO4 — CID 75985313

IUPACethyl 2-[(4-methoxyphenyl)methoxyimino]acetate
SMILESCCOC(=O)C=NOCc1ccc(OC)cc1
InChIInChI=1S/C12H15NO4/c1-3-16-12(14)8-13-17-9-10-4-6-11(15-2)7-5-10/h4-8H,3,9H2,1-2H3
InChIKeyDHNQRWIDXXDWCT-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.76
Rot. Bonds6

About ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate

ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate (PubChem CID 75985313) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxyphenyl)methoxyimino]acetate
PubChem CID75985313
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameethyl 2-[(4-methoxyphenyl)methoxyimino]acetate
SMILESCCOC(=O)C=NOCc1ccc(OC)cc1
InChIInChI=1S/C12H15NO4/c1-3-16-12(14)8-13-17-9-10-4-6-11(15-2)7-5-10/h4-8H,3,9H2,1-2H3
InChIKeyDHNQRWIDXXDWCT-UHFFFAOYSA-N
XLogP1.76
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.76
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

ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate
CID 53380978
2-ethoxy-N-[(4-methoxyphenyl)methyl]-2-oxoethanimine oxide
CID 11379379
ethyl 4-(4-methoxyphenyl)-3-methylbut-2-enoate
CID 54482573
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
ethyl 5-(4-methoxyphenyl)pent-2-enoate
CID 66971568
2-[(4-methoxyphenyl)methoxy]guanidine
CID 3601250
ethyl 2-[(4-methoxyphenyl)methoxy]butanoate
CID 64663670
ethyl 2-(2,4-dimethoxyphenyl)iminoacetate
CID 101411260
ethyl (2E,4Z)-4-iodo-7-[(4-methoxyphenyl)methoxy]hepta-2,4-dienoate
CID 24900139
ethyl (Z)-3-(4-methoxyphenoxy)but-2-enoate
CID 66894793
(4-methoxyphenyl)methyl silylformate
CID 123289214
(2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide
CID 10781908

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate?
The IUPAC name of ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate (CID 75985313) is ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate.
What is the SMILES notation for ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate?
The canonical SMILES for ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate is CCOC(=O)C=NOCc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate?
The InChIKey is DHNQRWIDXXDWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-16-12(14)8-13-17-9-10-4-6-11(15-2)7-5-10/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate?
ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate has a molecular weight of 237.25 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate is sourced from PubChem (CID 75985313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).