ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate

C18H14O5 — CID 10335542

IUPACethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate
SMILESCCOC(=O)C12Oc3ccccc3C1OC(=O)c1ccccc12
InChIInChI=1S/C18H14O5/c1-2-21-17(20)18-13-9-5-3-7-11(13)16(19)22-15(18)12-8-4-6-10-14(12)23-18/h3-10,15H,2H2,1H3
InChIKeyZILCMIDJPMISIO-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.75
Rot. Bonds2

About ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate

ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate (PubChem CID 10335542) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate
PubChem CID10335542
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Nameethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate
SMILESCCOC(=O)C12Oc3ccccc3C1OC(=O)c1ccccc12
InChIInChI=1S/C18H14O5/c1-2-21-17(20)18-13-9-5-3-7-11(13)16(19)22-15(18)12-8-4-6-10-14(12)23-18/h3-10,15H,2H2,1H3
InChIKeyZILCMIDJPMISIO-UHFFFAOYSA-N
XLogP2.75
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate 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

ethyl 9-hydroxyfluorene-9-carboxylate
CID 139070715
ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate
CID 25213191
ethyl 4-hydroxy-1-oxo-4-propan-2-yl-3H-isochromene-3-carboxylate
CID 23126612
ethyl (2R,3R)-2-(3-bromophenyl)-3-fluoro-4-oxo-2H-chromene-3-carboxylate
CID 25213430
ethyl 2-oxo-1-(9H-xanthen-9-yl)cyclopentane-1-carboxylate
CID 134849802
ethyl 2,3-diphenyloxirane-2-carboxylate
CID 12916722
diethyl 3-[2-(3-bromophenyl)-2-oxoethyl]-3H-1-benzofuran-2,2-dicarboxylate
CID 53495458
ethyl (6aS,7S,10aS)-7-methyl-6-oxo-10,10a-dihydro-7H-benzo[c]chromene-6a-carboxylate
CID 101396436
diethyl 3-methylidene-2-octyl-2H-indene-1,1-dicarboxylate
CID 10407837
ethyl (7Z)-7-hydroxyimino-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
CID 6324610
ethyl 2-oxo-3H-1-benzofuran-3-carboxylate
CID 12858903
ethyl (2S,3R)-3-hydroxy-3-methyl-2H-1-benzofuran-2-carboxylate
CID 15643807

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate?
The IUPAC name of ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate (CID 10335542) is ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate.
What is the SMILES notation for ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate?
The canonical SMILES for ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate is CCOC(=O)C12Oc3ccccc3C1OC(=O)c1ccccc12.
What is the InChIKey of ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate?
The InChIKey is ZILCMIDJPMISIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-2-21-17(20)18-13-9-5-3-7-11(13)16(19)22-15(18)12-8-4-6-10-14(12)23-18/h3-10,15H,2H2,1H3.
What are the key properties of ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate?
ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-6aH-[1]benzofuro[3,2-c]isochromene-11a-carboxylate is sourced from PubChem (CID 10335542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).