1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone

C12H12O3 — CID 121399839

IUPAC1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone
SMILESCCc1cc2occc2c(O)c1C(C)=O
InChIInChI=1S/C12H12O3/c1-3-8-6-10-9(4-5-15-10)12(14)11(8)7(2)13/h4-6,14H,3H2,1-2H3
InChIKeyRJEHDNILABQAPY-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.90
Rot. Bonds2

About 1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone

1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone (PubChem CID 121399839) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone
PubChem CID121399839
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone
SMILESCCc1cc2occc2c(O)c1C(C)=O
InChIInChI=1S/C12H12O3/c1-3-8-6-10-9(4-5-15-10)12(14)11(8)7(2)13/h4-6,14H,3H2,1-2H3
InChIKeyRJEHDNILABQAPY-UHFFFAOYSA-N
XLogP2.90
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone?
The IUPAC name of 1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone (CID 121399839) is 1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone is CCc1cc2occc2c(O)c1C(C)=O.
What is the InChIKey of 1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone?
The InChIKey is RJEHDNILABQAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-3-8-6-10-9(4-5-15-10)12(14)11(8)7(2)13/h4-6,14H,3H2,1-2H3.
What are the key properties of 1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone?
1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone has a molecular weight of 204.22 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 121399839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).