dimethyl 2-(2-methoxyphenoxy)propanedioate

C12H14O6 — CID 12967085

IUPACdimethyl 2-(2-methoxyphenoxy)propanedioate
SMILESCOC(=O)C(Oc1ccccc1OC)C(=O)OC
InChIInChI=1S/C12H14O6/c1-15-8-6-4-5-7-9(8)18-10(11(13)16-2)12(14)17-3/h4-7,10H,1-3H3
InChIKeySBUXKADXTZOBJV-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.79
Rot. Bonds5

About dimethyl 2-(2-methoxyphenoxy)propanedioate

dimethyl 2-(2-methoxyphenoxy)propanedioate (PubChem CID 12967085) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is dimethyl 2-(2-methoxyphenoxy)propanedioate.

Molecular Properties

Compound Namedimethyl 2-(2-methoxyphenoxy)propanedioate
PubChem CID12967085
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Namedimethyl 2-(2-methoxyphenoxy)propanedioate
SMILESCOC(=O)C(Oc1ccccc1OC)C(=O)OC
InChIInChI=1S/C12H14O6/c1-15-8-6-4-5-7-9(8)18-10(11(13)16-2)12(14)17-3/h4-7,10H,1-3H3
InChIKeySBUXKADXTZOBJV-UHFFFAOYSA-N
XLogP0.79
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.79
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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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-methoxyphenoxy)propanedioate?
The IUPAC name of dimethyl 2-(2-methoxyphenoxy)propanedioate (CID 12967085) is dimethyl 2-(2-methoxyphenoxy)propanedioate.
What is the SMILES notation for dimethyl 2-(2-methoxyphenoxy)propanedioate?
The canonical SMILES for dimethyl 2-(2-methoxyphenoxy)propanedioate is COC(=O)C(Oc1ccccc1OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(2-methoxyphenoxy)propanedioate?
The InChIKey is SBUXKADXTZOBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O6/c1-15-8-6-4-5-7-9(8)18-10(11(13)16-2)12(14)17-3/h4-7,10H,1-3H3.
What are the key properties of dimethyl 2-(2-methoxyphenoxy)propanedioate?
dimethyl 2-(2-methoxyphenoxy)propanedioate has a molecular weight of 254.24 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2-methoxyphenoxy)propanedioate is sourced from PubChem (CID 12967085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).