ethyl benzo[g][1,4]benzodioxine-3-carboxylate

C15H12O4 — CID 12060604

IUPACethyl benzo[g][1,4]benzodioxine-3-carboxylate
SMILESCCOC(=O)C1=COc2cc3ccccc3cc2O1
InChIInChI=1S/C15H12O4/c1-2-17-15(16)14-9-18-12-7-10-5-3-4-6-11(10)8-13(12)19-14/h3-9H,2H2,1H3
InChIKeyYSUHZIAQHFUYBU-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.02
Rot. Bonds2

About ethyl benzo[g][1,4]benzodioxine-3-carboxylate

ethyl benzo[g][1,4]benzodioxine-3-carboxylate (PubChem CID 12060604) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is ethyl benzo[g][1,4]benzodioxine-3-carboxylate.

Molecular Properties

Compound Nameethyl benzo[g][1,4]benzodioxine-3-carboxylate
PubChem CID12060604
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Nameethyl benzo[g][1,4]benzodioxine-3-carboxylate
SMILESCCOC(=O)C1=COc2cc3ccccc3cc2O1
InChIInChI=1S/C15H12O4/c1-2-17-15(16)14-9-18-12-7-10-5-3-4-6-11(10)8-13(12)19-14/h3-9H,2H2,1H3
InChIKeyYSUHZIAQHFUYBU-UHFFFAOYSA-N
XLogP3.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl benzo[g][1,4]benzodioxine-3-carboxylate?
The IUPAC name of ethyl benzo[g][1,4]benzodioxine-3-carboxylate (CID 12060604) is ethyl benzo[g][1,4]benzodioxine-3-carboxylate.
What is the SMILES notation for ethyl benzo[g][1,4]benzodioxine-3-carboxylate?
The canonical SMILES for ethyl benzo[g][1,4]benzodioxine-3-carboxylate is CCOC(=O)C1=COc2cc3ccccc3cc2O1.
What is the InChIKey of ethyl benzo[g][1,4]benzodioxine-3-carboxylate?
The InChIKey is YSUHZIAQHFUYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-2-17-15(16)14-9-18-12-7-10-5-3-4-6-11(10)8-13(12)19-14/h3-9H,2H2,1H3.
What are the key properties of ethyl benzo[g][1,4]benzodioxine-3-carboxylate?
ethyl benzo[g][1,4]benzodioxine-3-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl benzo[g][1,4]benzodioxine-3-carboxylate is sourced from PubChem (CID 12060604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).