3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

C8H10O2 — CID 15618900

IUPAC3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SMILESO=C1CCCC2=C1CCO2
InChIInChI=1S/C8H10O2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H2
InChIKeyDSWGBFOJTTXQBL-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.41
Rot. Bonds

About 3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

3,5,6,7-tetrahydro-2H-1-benzofuran-4-one (PubChem CID 15618900) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3,5,6,7-tetrahydro-2H-1-benzofuran-4-one.

Molecular Properties

Compound Name3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
PubChem CID15618900
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SMILESO=C1CCCC2=C1CCO2
InChIInChI=1S/C8H10O2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H2
InChIKeyDSWGBFOJTTXQBL-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The IUPAC name of 3,5,6,7-tetrahydro-2H-1-benzofuran-4-one (CID 15618900) is 3,5,6,7-tetrahydro-2H-1-benzofuran-4-one.
What is the SMILES notation for 3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The canonical SMILES for 3,5,6,7-tetrahydro-2H-1-benzofuran-4-one is O=C1CCCC2=C1CCO2.
What is the InChIKey of 3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The InChIKey is DSWGBFOJTTXQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H2.
What are the key properties of 3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
3,5,6,7-tetrahydro-2H-1-benzofuran-4-one has a molecular weight of 138.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7-tetrahydro-2H-1-benzofuran-4-one is sourced from PubChem (CID 15618900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).