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

C18H12O5 — CID 11964452

IUPACethyl 3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate
SMILESCCOC(=O)c1cc2c(ccc3oc4ccccc4c32)oc1=O
InChIInChI=1S/C18H12O5/c1-2-21-17(19)12-9-11-14(23-18(12)20)7-8-15-16(11)10-5-3-4-6-13(10)22-15/h3-9H,2H2,1H3
InChIKeyWPJOKAJDEPZURK-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.87
Rot. Bonds2

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

ethyl 3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate (PubChem CID 11964452) has the molecular formula C18H12O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is ethyl 3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate
PubChem CID11964452
Molecular FormulaC18H12O5
Molecular Weight308.29 g/mol
Exact Mass308.07
IUPAC Nameethyl 3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate
SMILESCCOC(=O)c1cc2c(ccc3oc4ccccc4c32)oc1=O
InChIInChI=1S/C18H12O5/c1-2-21-17(19)12-9-11-14(23-18(12)20)7-8-15-16(11)10-5-3-4-6-13(10)22-15/h3-9H,2H2,1H3
InChIKeyWPJOKAJDEPZURK-UHFFFAOYSA-N
XLogP3.87
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Isoimperatorin
CID 68081
Anhydrovariabilin
CID 624785
Pap-1
CID 11302540
Coriandrin
CID 119586
Moracin I
CID 155976
5-Methyl-2H-furo(2,3-h)-1-benzopyran-2-one
CID 62267
5-Methoxybenzofuran
CID 25943
Psora-4
CID 6603977
Coumestrol dimethyl ether
CID 2785731
Ethyl 5-hydroxy-2-methyl-3-benzofurancarboxylate
CID 81704
2-(8-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2,4,6-tetraen-4-yloxy)acetic acid
CID 2927343
2-Dibenzofuranol
CID 66587

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate?
The IUPAC name of ethyl 3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate (CID 11964452) is ethyl 3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate.
What is the SMILES notation for ethyl 3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate?
The canonical SMILES for ethyl 3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate is CCOC(=O)c1cc2c(ccc3oc4ccccc4c32)oc1=O.
What is the InChIKey of ethyl 3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate?
The InChIKey is WPJOKAJDEPZURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O5/c1-2-21-17(19)12-9-11-14(23-18(12)20)7-8-15-16(11)10-5-3-4-6-13(10)22-15/h3-9H,2H2,1H3.
What are the key properties of ethyl 3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate?
ethyl 3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate has a molecular weight of 308.29 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate is sourced from PubChem (CID 11964452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).