4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one

C21H18O4 — CID 908910

IUPAC4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one
SMILESCCOc1cccc2cc(-c3cc(=O)oc4ccc(CC)cc34)oc12
InChIInChI=1S/C21H18O4/c1-3-13-8-9-17-15(10-13)16(12-20(22)24-17)19-11-14-6-5-7-18(23-4-2)21(14)25-19/h5-12H,3-4H2,1-2H3
InChIKeyBFCRXKDYCPCQNU-UHFFFAOYSA-N
MW334.37 g/mol
LogP5.17
Rot. Bonds4

About 4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one

4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one (PubChem CID 908910) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one.

Molecular Properties

Compound Name4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one
PubChem CID908910
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one
SMILESCCOc1cccc2cc(-c3cc(=O)oc4ccc(CC)cc34)oc12
InChIInChI=1S/C21H18O4/c1-3-13-8-9-17-15(10-13)16(12-20(22)24-17)19-11-14-6-5-7-18(23-4-2)21(14)25-19/h5-12H,3-4H2,1-2H3
InChIKeyBFCRXKDYCPCQNU-UHFFFAOYSA-N
XLogP5.17
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(7-methoxy-1-benzofuran-2-yl)-2-oxochromen-6-yl] propanoate
CID 7295507
4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one
CID 7295592
[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl] 2,6-dimethoxybenzoate
CID 44915621
[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl] propanoate
CID 7295508
methyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate
CID 7295564
[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl] 4-methylbenzoate
CID 44915884
2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide
CID 7295581
4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-6-(3-methylbut-2-enoxy)chromen-2-one
CID 7295587
[4-(7-methoxy-1-benzofuran-2-yl)-2-oxo-7-phenylchromen-6-yl] 2-methylpropanoate
CID 44915623
[4-(7-methoxy-1-benzofuran-2-yl)-2-oxo-7-phenylchromen-6-yl] 2-bromobenzoate
CID 44915965
[4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate
CID 18561631
4-ethoxychromen-2-one
CID 688703

Frequently Asked Questions

What is the IUPAC name of 4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one?
The IUPAC name of 4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one (CID 908910) is 4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one.
What is the SMILES notation for 4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one?
The canonical SMILES for 4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one is CCOc1cccc2cc(-c3cc(=O)oc4ccc(CC)cc34)oc12.
What is the InChIKey of 4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one?
The InChIKey is BFCRXKDYCPCQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c1-3-13-8-9-17-15(10-13)16(12-20(22)24-17)19-11-14-6-5-7-18(23-4-2)21(14)25-19/h5-12H,3-4H2,1-2H3.
What are the key properties of 4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one?
4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one has a molecular weight of 334.37 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one is sourced from PubChem (CID 908910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).