methyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate

C14H18O5 — CID 66438930

IUPACmethyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate
SMILESCOC(=O)C1(C)OC1(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H18O5/c1-13(14(2,19-13)12(15)18-5)9-6-7-10(16-3)11(8-9)17-4/h6-8H,1-5H3
InChIKeyJJKXKCOCWOYPCR-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.88
Rot. Bonds4

About methyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate

methyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate (PubChem CID 66438930) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate
PubChem CID66438930
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate
SMILESCOC(=O)C1(C)OC1(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H18O5/c1-13(14(2,19-13)12(15)18-5)9-6-7-10(16-3)11(8-9)17-4/h6-8H,1-5H3
InChIKeyJJKXKCOCWOYPCR-UHFFFAOYSA-N
XLogP1.88
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate?
The IUPAC name of methyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate (CID 66438930) is methyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate.
What is the SMILES notation for methyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate?
The canonical SMILES for methyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate is COC(=O)C1(C)OC1(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate?
The InChIKey is JJKXKCOCWOYPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-13(14(2,19-13)12(15)18-5)9-6-7-10(16-3)11(8-9)17-4/h6-8H,1-5H3.
What are the key properties of methyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate?
methyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate has a molecular weight of 266.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethoxyphenyl)-2,3-dimethyloxirane-2-carboxylate is sourced from PubChem (CID 66438930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).