ethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate

C13H14O4 — CID 166351249

IUPACethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate
SMILESCCOC(=O)c1cccc(C2=COCCO2)c1
InChIInChI=1S/C13H14O4/c1-2-16-13(14)11-5-3-4-10(8-11)12-9-15-6-7-17-12/h3-5,8-9H,2,6-7H2,1H3
InChIKeyDRPLQDOHLSUHBZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.21
Rot. Bonds3

About ethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate

ethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate (PubChem CID 166351249) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate.

Molecular Properties

Compound Nameethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate
PubChem CID166351249
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Nameethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate
SMILESCCOC(=O)c1cccc(C2=COCCO2)c1
InChIInChI=1S/C13H14O4/c1-2-16-13(14)11-5-3-4-10(8-11)12-9-15-6-7-17-12/h3-5,8-9H,2,6-7H2,1H3
InChIKeyDRPLQDOHLSUHBZ-UHFFFAOYSA-N
XLogP2.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate with MolForge

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

Launch Full Analysis

Related Compounds

diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
ethyl 3-(3,4-diaminophenyl)benzoate
CID 154094188
ethyl 3-(2-methylphenyl)benzoate
CID 161279352
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
diethyl 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-dicarboxylate
CID 3590202
ethyl 2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-9-carboxylate
CID 138479505
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429626
ethyl 3-acetylbenzoate
CID 11298463
ethyl 3-thiophen-2-ylbenzoate
CID 162653930
ethyl 3-(2-bromophenyl)benzoate
CID 58730981
ethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate
CID 122358497

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate?
The IUPAC name of ethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate (CID 166351249) is ethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate.
What is the SMILES notation for ethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate?
The canonical SMILES for ethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate is CCOC(=O)c1cccc(C2=COCCO2)c1.
What is the InChIKey of ethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate?
The InChIKey is DRPLQDOHLSUHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-2-16-13(14)11-5-3-4-10(8-11)12-9-15-6-7-17-12/h3-5,8-9H,2,6-7H2,1H3.
What are the key properties of ethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate?
ethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate has a molecular weight of 234.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,3-dihydro-1,4-dioxin-5-yl)benzoate is sourced from PubChem (CID 166351249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).