ethyl dibenzofuran-1-carboxylate

C15H12O3 — CID 11858911

IUPACethyl dibenzofuran-1-carboxylate
SMILESCCOC(=O)c1cccc2oc3ccccc3c12
InChIInChI=1S/C15H12O3/c1-2-17-15(16)11-7-5-9-13-14(11)10-6-3-4-8-12(10)18-13/h3-9H,2H2,1H3
InChIKeyMROWKDORVUBWAB-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.76
Rot. Bonds2

About ethyl dibenzofuran-1-carboxylate

ethyl dibenzofuran-1-carboxylate (PubChem CID 11858911) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl dibenzofuran-1-carboxylate.

Molecular Properties

Compound Nameethyl dibenzofuran-1-carboxylate
PubChem CID11858911
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Nameethyl dibenzofuran-1-carboxylate
SMILESCCOC(=O)c1cccc2oc3ccccc3c12
InChIInChI=1S/C15H12O3/c1-2-17-15(16)11-7-5-9-13-14(11)10-6-3-4-8-12(10)18-13/h3-9H,2H2,1H3
InChIKeyMROWKDORVUBWAB-UHFFFAOYSA-N
XLogP3.76
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 9-oxoxanthene-1-carboxylate
CID 174406406
ethyl 3-chloro-9-sulfanylidenexanthene-1-carboxylate
CID 57023421
ethyl 3-oxobenzo[f]chromene-1-carboxylate
CID 11161494
ethyl 3,12-dioxopyrano[3,2-a]xanthene-2-carboxylate
CID 102107921
ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate
CID 11594938
ethyl dibenzoselenophene-1-carboxylate
CID 86218892
ethyl 2-chloro-1-benzofuran-3-carboxylate
CID 151284906
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
ethyl chrysene-1-carboxylate
CID 86251232
diethyl benzene-1,2-dicarboxylate;isocyanic acid
CID 174879507
ethyl 4-(dimethylamino)benzoate;xanthen-9-one
CID 67481902
ethyl 2-(2-methyldibenzofuran-1-yl)acetate
CID 150461588

Frequently Asked Questions

What is the IUPAC name of ethyl dibenzofuran-1-carboxylate?
The IUPAC name of ethyl dibenzofuran-1-carboxylate (CID 11858911) is ethyl dibenzofuran-1-carboxylate.
What is the SMILES notation for ethyl dibenzofuran-1-carboxylate?
The canonical SMILES for ethyl dibenzofuran-1-carboxylate is CCOC(=O)c1cccc2oc3ccccc3c12.
What is the InChIKey of ethyl dibenzofuran-1-carboxylate?
The InChIKey is MROWKDORVUBWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-2-17-15(16)11-7-5-9-13-14(11)10-6-3-4-8-12(10)18-13/h3-9H,2H2,1H3.
What are the key properties of ethyl dibenzofuran-1-carboxylate?
ethyl dibenzofuran-1-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl dibenzofuran-1-carboxylate is sourced from PubChem (CID 11858911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).