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

C8H10O3 — CID 71359684

IUPAC3-hydroxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SMILESO=C1CCCC2=C1C(O)CO2
InChIInChI=1S/C8H10O3/c9-5-2-1-3-7-8(5)6(10)4-11-7/h6,10H,1-4H2
InChIKeyJLVKXUCHTRUYJT-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.38
Rot. Bonds

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

3-hydroxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one (PubChem CID 71359684) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-hydroxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one.

Molecular Properties

Compound Name3-hydroxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
PubChem CID71359684
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3-hydroxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SMILESO=C1CCCC2=C1C(O)CO2
InChIInChI=1S/C8H10O3/c9-5-2-1-3-7-8(5)6(10)4-11-7/h6,10H,1-4H2
InChIKeyJLVKXUCHTRUYJT-UHFFFAOYSA-N
XLogP0.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The IUPAC name of 3-hydroxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one (CID 71359684) is 3-hydroxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one.
What is the SMILES notation for 3-hydroxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The canonical SMILES for 3-hydroxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one is O=C1CCCC2=C1C(O)CO2.
What is the InChIKey of 3-hydroxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The InChIKey is JLVKXUCHTRUYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-5-2-1-3-7-8(5)6(10)4-11-7/h6,10H,1-4H2.
What are the key properties of 3-hydroxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
3-hydroxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one has a molecular weight of 154.16 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one is sourced from PubChem (CID 71359684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).