3-benzoyl-3H-1-benzofuran-2-one

C15H10O3 — CID 70129495

IUPAC3-benzoyl-3H-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2C1C(=O)c1ccccc1
InChIInChI=1S/C15H10O3/c16-14(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)18-15(13)17/h1-9,13H
InChIKeyQGUZHOBYXFRXRI-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.57
Rot. Bonds2

About 3-benzoyl-3H-1-benzofuran-2-one

3-benzoyl-3H-1-benzofuran-2-one (PubChem CID 70129495) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-benzoyl-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name3-benzoyl-3H-1-benzofuran-2-one
PubChem CID70129495
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Name3-benzoyl-3H-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2C1C(=O)c1ccccc1
InChIInChI=1S/C15H10O3/c16-14(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)18-15(13)17/h1-9,13H
InChIKeyQGUZHOBYXFRXRI-UHFFFAOYSA-N
XLogP2.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-3H-1-benzofuran-2-one?
The IUPAC name of 3-benzoyl-3H-1-benzofuran-2-one (CID 70129495) is 3-benzoyl-3H-1-benzofuran-2-one.
What is the SMILES notation for 3-benzoyl-3H-1-benzofuran-2-one?
The canonical SMILES for 3-benzoyl-3H-1-benzofuran-2-one is O=C1Oc2ccccc2C1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-3H-1-benzofuran-2-one?
The InChIKey is QGUZHOBYXFRXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3/c16-14(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)18-15(13)17/h1-9,13H.
What are the key properties of 3-benzoyl-3H-1-benzofuran-2-one?
3-benzoyl-3H-1-benzofuran-2-one has a molecular weight of 238.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-3H-1-benzofuran-2-one is sourced from PubChem (CID 70129495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).