1-(3-hydroxy-1-benzofuran-2-yl)ethanone

C10H8O3 — CID 12606482

IUPAC1-(3-hydroxy-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2ccccc2c1O
InChIInChI=1S/C10H8O3/c1-6(11)10-9(12)7-4-2-3-5-8(7)13-10/h2-5,12H,1H3
InChIKeyOBDZRLYUIDUJHZ-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.34
Rot. Bonds1

About 1-(3-hydroxy-1-benzofuran-2-yl)ethanone

1-(3-hydroxy-1-benzofuran-2-yl)ethanone (PubChem CID 12606482) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-(3-hydroxy-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-1-benzofuran-2-yl)ethanone
PubChem CID12606482
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name1-(3-hydroxy-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2ccccc2c1O
InChIInChI=1S/C10H8O3/c1-6(11)10-9(12)7-4-2-3-5-8(7)13-10/h2-5,12H,1H3
InChIKeyOBDZRLYUIDUJHZ-UHFFFAOYSA-N
XLogP2.34
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(3-hydroxy-1-benzofuran-2-yl)ethanone (CID 12606482) is 1-(3-hydroxy-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(3-hydroxy-1-benzofuran-2-yl)ethanone is CC(=O)c1oc2ccccc2c1O.
What is the InChIKey of 1-(3-hydroxy-1-benzofuran-2-yl)ethanone?
The InChIKey is OBDZRLYUIDUJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c1-6(11)10-9(12)7-4-2-3-5-8(7)13-10/h2-5,12H,1H3.
What are the key properties of 1-(3-hydroxy-1-benzofuran-2-yl)ethanone?
1-(3-hydroxy-1-benzofuran-2-yl)ethanone has a molecular weight of 176.17 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 12606482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).