ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate

C19H14O5 — CID 11594938

IUPACethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate
SMILESCCOC(=O)c1c(C)c2c(ccc3oc4ccccc4c32)oc1=O
InChIInChI=1S/C19H14O5/c1-3-22-18(20)16-10(2)15-13(24-19(16)21)8-9-14-17(15)11-6-4-5-7-12(11)23-14/h4-9H,3H2,1-2H3
InChIKeyUWSYBGYHMOYTOA-UHFFFAOYSA-N
MW322.32 g/mol
LogP4.18
Rot. Bonds2

About ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate

ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate (PubChem CID 11594938) has the molecular formula C19H14O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate
PubChem CID11594938
Molecular FormulaC19H14O5
Molecular Weight322.32 g/mol
Exact Mass322.08
IUPAC Nameethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate
SMILESCCOC(=O)c1c(C)c2c(ccc3oc4ccccc4c32)oc1=O
InChIInChI=1S/C19H14O5/c1-3-22-18(20)16-10(2)15-13(24-19(16)21)8-9-14-17(15)11-6-4-5-7-12(11)23-14/h4-9H,3H2,1-2H3
InChIKeyUWSYBGYHMOYTOA-UHFFFAOYSA-N
XLogP4.18
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-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 dibenzofuran-1-carboxylate
CID 11858911
ethyl 3,12-dioxopyrano[3,2-a]xanthene-2-carboxylate
CID 102107921
ethyl 9-oxoxanthene-1-carboxylate
CID 174406406
ethyl 4-(benzylamino)-2-oxochromene-3-carboxylate
CID 170872042
ethyl 2-chloro-1-benzofuran-3-carboxylate
CID 151284906
ethyl 3-methyl-2-naphthalen-1-yl-4-oxochromeno[3,4-b]pyrrole-1-carboxylate
CID 122372067
ethyl 2-(2-methylphenyl)-4-oxochromene-3-carboxylate
CID 154714903
ethyl 1,3,4-trimethyltriphenylene-2-carboxylate
CID 71733797
ethyl 2-(chloromethyl)-4-oxochromene-3-carboxylate
CID 154715605
ethyl 10-methyl-8-oxotetracyclo[7.7.1.02,7.012,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-11-carboxylate
CID 10881615
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 2-(2-methyldibenzofuran-1-yl)acetate
CID 150461588

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate?
The IUPAC name of ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate (CID 11594938) is ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate is CCOC(=O)c1c(C)c2c(ccc3oc4ccccc4c32)oc1=O.
What is the InChIKey of ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate?
The InChIKey is UWSYBGYHMOYTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O5/c1-3-22-18(20)16-10(2)15-13(24-19(16)21)8-9-14-17(15)11-6-4-5-7-12(11)23-14/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate?
ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate has a molecular weight of 322.32 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate is sourced from PubChem (CID 11594938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).