3H-2-benzofuran-1-one;ethane

C14H24O2 — CID 90991348

IUPAC3H-2-benzofuran-1-one;ethane
SMILESCC.CC.CC.O=C1OCc2ccccc21
InChIInChI=1S/C8H6O2.3C2H6/c9-8-7-4-2-1-3-6(7)5-10-8;3*1-2/h1-4H,5H2;3*1-2H3
InChIKeyVUVGBWYFHFABAX-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.44
Rot. Bonds

About 3H-2-benzofuran-1-one;ethane

3H-2-benzofuran-1-one;ethane (PubChem CID 90991348) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3H-2-benzofuran-1-one;ethane.

Molecular Properties

Compound Name3H-2-benzofuran-1-one;ethane
PubChem CID90991348
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3H-2-benzofuran-1-one;ethane
SMILESCC.CC.CC.O=C1OCc2ccccc21
InChIInChI=1S/C8H6O2.3C2H6/c9-8-7-4-2-1-3-6(7)5-10-8;3*1-2/h1-4H,5H2;3*1-2H3
InChIKeyVUVGBWYFHFABAX-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3H-2-benzofuran-1-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3H-2-benzofuran-1-one;ethane?
The IUPAC name of 3H-2-benzofuran-1-one;ethane (CID 90991348) is 3H-2-benzofuran-1-one;ethane.
What is the SMILES notation for 3H-2-benzofuran-1-one;ethane?
The canonical SMILES for 3H-2-benzofuran-1-one;ethane is CC.CC.CC.O=C1OCc2ccccc21.
What is the InChIKey of 3H-2-benzofuran-1-one;ethane?
The InChIKey is VUVGBWYFHFABAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2.3C2H6/c9-8-7-4-2-1-3-6(7)5-10-8;3*1-2/h1-4H,5H2;3*1-2H3.
What are the key properties of 3H-2-benzofuran-1-one;ethane?
3H-2-benzofuran-1-one;ethane has a molecular weight of 224.34 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-2-benzofuran-1-one;ethane is sourced from PubChem (CID 90991348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).