methyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate

C13H17NO6 — CID 6712670

IUPACmethyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate
SMILESCOCOc1cc(OC)ccc1CC(=NO)C(=O)OC
InChIInChI=1S/C13H17NO6/c1-17-8-20-12-7-10(18-2)5-4-9(12)6-11(14-16)13(15)19-3/h4-5,7,16H,6,8H2,1-3H3
InChIKeyMRTGZYFXMVIPKN-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.22
Rot. Bonds7

About methyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate

methyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate (PubChem CID 6712670) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate
PubChem CID6712670
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Namemethyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate
SMILESCOCOc1cc(OC)ccc1CC(=NO)C(=O)OC
InChIInChI=1S/C13H17NO6/c1-17-8-20-12-7-10(18-2)5-4-9(12)6-11(14-16)13(15)19-3/h4-5,7,16H,6,8H2,1-3H3
InChIKeyMRTGZYFXMVIPKN-UHFFFAOYSA-N
XLogP1.22
TPSA86.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 24721588
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
2-butyl-4-methoxy-1-(methoxymethoxy)benzene
CID 139851851
2-[2,4-bis(methoxymethoxy)phenyl]ethanol
CID 175027398
4-methoxy-2-(methoxymethoxy)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
CID 10781559
2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene
CID 118066872
methyl 2-[3,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)phenyl]acetate
CID 23147496
2-(2,4-dimethoxyphenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide
CID 110495730
N-(cyanomethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 96660716
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
methyl 4-hydroxy-3-[4-methoxy-2-(methoxymethoxy)phenyl]-2-[[4-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-oxofuran-2-carboxylate
CID 102063488

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate?
The IUPAC name of methyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate (CID 6712670) is methyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate.
What is the SMILES notation for methyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate?
The canonical SMILES for methyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate is COCOc1cc(OC)ccc1CC(=NO)C(=O)OC.
What is the InChIKey of methyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate?
The InChIKey is MRTGZYFXMVIPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-17-8-20-12-7-10(18-2)5-4-9(12)6-11(14-16)13(15)19-3/h4-5,7,16H,6,8H2,1-3H3.
What are the key properties of methyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate?
methyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate has a molecular weight of 283.28 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate is sourced from PubChem (CID 6712670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).