6,7-dihydro-5H-1-benzofuran-4-one

C8H8O2 — CID 2733541

IUPAC6,7-dihydro-5H-1-benzofuran-4-one
SMILESO=C1CCCc2occc21
InChIInChI=1S/C8H8O2/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2
InChIKeyDXWQOYPYNPSVRL-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.80
Rot. Bonds

About 6,7-dihydro-5H-1-benzofuran-4-one

6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 2733541) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID2733541
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name6,7-dihydro-5H-1-benzofuran-4-one
SMILESO=C1CCCc2occc21
InChIInChI=1S/C8H8O2/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2
InChIKeyDXWQOYPYNPSVRL-UHFFFAOYSA-N
XLogP1.80
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 6,7-dihydro-5H-1-benzofuran-4-one (CID 2733541) is 6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 6,7-dihydro-5H-1-benzofuran-4-one is O=C1CCCc2occc21.
What is the InChIKey of 6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is DXWQOYPYNPSVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2.
What are the key properties of 6,7-dihydro-5H-1-benzofuran-4-one?
6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 136.15 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 2733541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).