3,6-dihydro-2H-1-benzofuran-5-one

C8H8O2 — CID 67957934

IUPAC3,6-dihydro-2H-1-benzofuran-5-one
SMILESO=C1C=C2CCOC2=CC1
InChIInChI=1S/C8H8O2/c9-7-1-2-8-6(5-7)3-4-10-8/h2,5H,1,3-4H2
InChIKeyFVSHIHLJOOJRGQ-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.19
Rot. Bonds

About 3,6-dihydro-2H-1-benzofuran-5-one

3,6-dihydro-2H-1-benzofuran-5-one (PubChem CID 67957934) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 3,6-dihydro-2H-1-benzofuran-5-one.

Molecular Properties

Compound Name3,6-dihydro-2H-1-benzofuran-5-one
PubChem CID67957934
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name3,6-dihydro-2H-1-benzofuran-5-one
SMILESO=C1C=C2CCOC2=CC1
InChIInChI=1S/C8H8O2/c9-7-1-2-8-6(5-7)3-4-10-8/h2,5H,1,3-4H2
InChIKeyFVSHIHLJOOJRGQ-UHFFFAOYSA-N
XLogP1.19
TPSA26.30 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 ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-1-benzofuran-5-one?
The IUPAC name of 3,6-dihydro-2H-1-benzofuran-5-one (CID 67957934) is 3,6-dihydro-2H-1-benzofuran-5-one.
What is the SMILES notation for 3,6-dihydro-2H-1-benzofuran-5-one?
The canonical SMILES for 3,6-dihydro-2H-1-benzofuran-5-one is O=C1C=C2CCOC2=CC1.
What is the InChIKey of 3,6-dihydro-2H-1-benzofuran-5-one?
The InChIKey is FVSHIHLJOOJRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c9-7-1-2-8-6(5-7)3-4-10-8/h2,5H,1,3-4H2.
What are the key properties of 3,6-dihydro-2H-1-benzofuran-5-one?
3,6-dihydro-2H-1-benzofuran-5-one has a molecular weight of 136.15 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-1-benzofuran-5-one is sourced from PubChem (CID 67957934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).