3-ethyl-3H-2-benzofuran-1-one

C10H10O2 — CID 10909876

IUPAC3-ethyl-3H-2-benzofuran-1-one
SMILESCCC1OC(=O)c2ccccc21
InChIInChI=1S/C10H10O2/c1-2-9-7-5-3-4-6-8(7)10(11)12-9/h3-6,9H,2H2,1H3
InChIKeyVMTZKGPXYYJUAR-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.31
Rot. Bonds1

About 3-ethyl-3H-2-benzofuran-1-one

3-ethyl-3H-2-benzofuran-1-one (PubChem CID 10909876) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-ethyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-ethyl-3H-2-benzofuran-1-one
PubChem CID10909876
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name3-ethyl-3H-2-benzofuran-1-one
SMILESCCC1OC(=O)c2ccccc21
InChIInChI=1S/C10H10O2/c1-2-9-7-5-3-4-6-8(7)10(11)12-9/h3-6,9H,2H2,1H3
InChIKeyVMTZKGPXYYJUAR-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3H-2-benzofuran-1-one?
The IUPAC name of 3-ethyl-3H-2-benzofuran-1-one (CID 10909876) is 3-ethyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-ethyl-3H-2-benzofuran-1-one?
The canonical SMILES for 3-ethyl-3H-2-benzofuran-1-one is CCC1OC(=O)c2ccccc21.
What is the InChIKey of 3-ethyl-3H-2-benzofuran-1-one?
The InChIKey is VMTZKGPXYYJUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-9-7-5-3-4-6-8(7)10(11)12-9/h3-6,9H,2H2,1H3.
What are the key properties of 3-ethyl-3H-2-benzofuran-1-one?
3-ethyl-3H-2-benzofuran-1-one has a molecular weight of 162.19 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 10909876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).