6-hydroxy-3H-benzo[f][1]benzofuran-2-one

C12H8O3 — CID 67559155

IUPAC6-hydroxy-3H-benzo[f][1]benzofuran-2-one
SMILESO=C1Cc2cc3cc(O)ccc3cc2O1
InChIInChI=1S/C12H8O3/c13-10-2-1-7-5-11-9(3-8(7)4-10)6-12(14)15-11/h1-5,13H,6H2
InChIKeyQCJAAEWEZZCAJP-UHFFFAOYSA-N
MW200.19 g/mol
LogP2.01
Rot. Bonds

About 6-hydroxy-3H-benzo[f][1]benzofuran-2-one

6-hydroxy-3H-benzo[f][1]benzofuran-2-one (PubChem CID 67559155) has the molecular formula C12H8O3 and a molecular weight of 200.19 g/mol. Its IUPAC name is 6-hydroxy-3H-benzo[f][1]benzofuran-2-one.

Molecular Properties

Compound Name6-hydroxy-3H-benzo[f][1]benzofuran-2-one
PubChem CID67559155
Molecular FormulaC12H8O3
Molecular Weight200.19 g/mol
Exact Mass200.05
IUPAC Name6-hydroxy-3H-benzo[f][1]benzofuran-2-one
SMILESO=C1Cc2cc3cc(O)ccc3cc2O1
InChIInChI=1S/C12H8O3/c13-10-2-1-7-5-11-9(3-8(7)4-10)6-12(14)15-11/h1-5,13H,6H2
InChIKeyQCJAAEWEZZCAJP-UHFFFAOYSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3H-benzo[f][1]benzofuran-2-one?
The IUPAC name of 6-hydroxy-3H-benzo[f][1]benzofuran-2-one (CID 67559155) is 6-hydroxy-3H-benzo[f][1]benzofuran-2-one.
What is the SMILES notation for 6-hydroxy-3H-benzo[f][1]benzofuran-2-one?
The canonical SMILES for 6-hydroxy-3H-benzo[f][1]benzofuran-2-one is O=C1Cc2cc3cc(O)ccc3cc2O1.
What is the InChIKey of 6-hydroxy-3H-benzo[f][1]benzofuran-2-one?
The InChIKey is QCJAAEWEZZCAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3/c13-10-2-1-7-5-11-9(3-8(7)4-10)6-12(14)15-11/h1-5,13H,6H2.
What are the key properties of 6-hydroxy-3H-benzo[f][1]benzofuran-2-one?
6-hydroxy-3H-benzo[f][1]benzofuran-2-one has a molecular weight of 200.19 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3H-benzo[f][1]benzofuran-2-one is sourced from PubChem (CID 67559155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).