diethyl 2-(2,4-dimethoxyphenyl)propanedioate

C15H20O6 — CID 13193850

IUPACdiethyl 2-(2,4-dimethoxyphenyl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)c1ccc(OC)cc1OC
InChIInChI=1S/C15H20O6/c1-5-20-14(16)13(15(17)21-6-2)11-8-7-10(18-3)9-12(11)19-4/h7-9,13H,5-6H2,1-4H3
InChIKeyVDTISFREXVXWRP-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.91
Rot. Bonds7

About diethyl 2-(2,4-dimethoxyphenyl)propanedioate

diethyl 2-(2,4-dimethoxyphenyl)propanedioate (PubChem CID 13193850) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is diethyl 2-(2,4-dimethoxyphenyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(2,4-dimethoxyphenyl)propanedioate
PubChem CID13193850
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Namediethyl 2-(2,4-dimethoxyphenyl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)c1ccc(OC)cc1OC
InChIInChI=1S/C15H20O6/c1-5-20-14(16)13(15(17)21-6-2)11-8-7-10(18-3)9-12(11)19-4/h7-9,13H,5-6H2,1-4H3
InChIKeyVDTISFREXVXWRP-UHFFFAOYSA-N
XLogP1.91
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109
diethyl 2-(2-iodo-5-methoxyphenyl)propanedioate
CID 138974831
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
ethyl (3S)-3-amino-3-(2,4-dimethoxyphenyl)-2,2-difluoropropanoate
CID 171246682
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774
1-(2,4-dimethoxyphenyl)-1-methoxypentan-2-one
CID 83226336
methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171246679
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
ethyl 2-(2-amino-5-methoxyphenyl)propanoate
CID 106987688
2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117321879

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2,4-dimethoxyphenyl)propanedioate?
The IUPAC name of diethyl 2-(2,4-dimethoxyphenyl)propanedioate (CID 13193850) is diethyl 2-(2,4-dimethoxyphenyl)propanedioate.
What is the SMILES notation for diethyl 2-(2,4-dimethoxyphenyl)propanedioate?
The canonical SMILES for diethyl 2-(2,4-dimethoxyphenyl)propanedioate is CCOC(=O)C(C(=O)OCC)c1ccc(OC)cc1OC.
What is the InChIKey of diethyl 2-(2,4-dimethoxyphenyl)propanedioate?
The InChIKey is VDTISFREXVXWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-5-20-14(16)13(15(17)21-6-2)11-8-7-10(18-3)9-12(11)19-4/h7-9,13H,5-6H2,1-4H3.
What are the key properties of diethyl 2-(2,4-dimethoxyphenyl)propanedioate?
diethyl 2-(2,4-dimethoxyphenyl)propanedioate has a molecular weight of 296.32 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2,4-dimethoxyphenyl)propanedioate is sourced from PubChem (CID 13193850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).