benzo[g][1,4]benzodioxine;ethyl formate

C15H14O4 — CID 161278723

IUPACbenzo[g][1,4]benzodioxine;ethyl formate
SMILESC1=COc2cc3ccccc3cc2O1.CCOC=O
InChIInChI=1S/C12H8O2.C3H6O2/c1-2-4-10-8-12-11(7-9(10)3-1)13-5-6-14-12;1-2-5-3-4/h1-8H;3H,2H2,1H3
InChIKeyVEUBYZDOFNGQHG-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.26
Rot. Bonds2

About benzo[g][1,4]benzodioxine;ethyl formate

benzo[g][1,4]benzodioxine;ethyl formate (PubChem CID 161278723) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is benzo[g][1,4]benzodioxine;ethyl formate.

Molecular Properties

Compound Namebenzo[g][1,4]benzodioxine;ethyl formate
PubChem CID161278723
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Namebenzo[g][1,4]benzodioxine;ethyl formate
SMILESC1=COc2cc3ccccc3cc2O1.CCOC=O
InChIInChI=1S/C12H8O2.C3H6O2/c1-2-4-10-8-12-11(7-9(10)3-1)13-5-6-14-12;1-2-5-3-4/h1-8H;3H,2H2,1H3
InChIKeyVEUBYZDOFNGQHG-UHFFFAOYSA-N
XLogP3.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze benzo[g][1,4]benzodioxine;ethyl formate 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 benzo[g][1,4]benzodioxine;ethyl formate?
The IUPAC name of benzo[g][1,4]benzodioxine;ethyl formate (CID 161278723) is benzo[g][1,4]benzodioxine;ethyl formate.
What is the SMILES notation for benzo[g][1,4]benzodioxine;ethyl formate?
The canonical SMILES for benzo[g][1,4]benzodioxine;ethyl formate is C1=COc2cc3ccccc3cc2O1.CCOC=O.
What is the InChIKey of benzo[g][1,4]benzodioxine;ethyl formate?
The InChIKey is VEUBYZDOFNGQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2.C3H6O2/c1-2-4-10-8-12-11(7-9(10)3-1)13-5-6-14-12;1-2-5-3-4/h1-8H;3H,2H2,1H3.
What are the key properties of benzo[g][1,4]benzodioxine;ethyl formate?
benzo[g][1,4]benzodioxine;ethyl formate has a molecular weight of 258.27 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g][1,4]benzodioxine;ethyl formate is sourced from PubChem (CID 161278723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).