5-methyl-3-phenyl-3H-1-benzofuran-2-one

C15H12O2 — CID 3504521

IUPAC5-methyl-3-phenyl-3H-1-benzofuran-2-one
SMILESCc1ccc2c(c1)C(c1ccccc1)C(=O)O2
InChIInChI=1S/C15H12O2/c1-10-7-8-13-12(9-10)14(15(16)17-13)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyOKEUDFGIAMSXGC-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.05
Rot. Bonds1

About 5-methyl-3-phenyl-3H-1-benzofuran-2-one

5-methyl-3-phenyl-3H-1-benzofuran-2-one (PubChem CID 3504521) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-methyl-3-phenyl-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name5-methyl-3-phenyl-3H-1-benzofuran-2-one
PubChem CID3504521
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name5-methyl-3-phenyl-3H-1-benzofuran-2-one
SMILESCc1ccc2c(c1)C(c1ccccc1)C(=O)O2
InChIInChI=1S/C15H12O2/c1-10-7-8-13-12(9-10)14(15(16)17-13)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyOKEUDFGIAMSXGC-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-methyl-3-phenyl-3H-1-benzofuran-2-one?
The IUPAC name of 5-methyl-3-phenyl-3H-1-benzofuran-2-one (CID 3504521) is 5-methyl-3-phenyl-3H-1-benzofuran-2-one.
What is the SMILES notation for 5-methyl-3-phenyl-3H-1-benzofuran-2-one?
The canonical SMILES for 5-methyl-3-phenyl-3H-1-benzofuran-2-one is Cc1ccc2c(c1)C(c1ccccc1)C(=O)O2.
What is the InChIKey of 5-methyl-3-phenyl-3H-1-benzofuran-2-one?
The InChIKey is OKEUDFGIAMSXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-10-7-8-13-12(9-10)14(15(16)17-13)11-5-3-2-4-6-11/h2-9,14H,1H3.
What are the key properties of 5-methyl-3-phenyl-3H-1-benzofuran-2-one?
5-methyl-3-phenyl-3H-1-benzofuran-2-one has a molecular weight of 224.26 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-3H-1-benzofuran-2-one is sourced from PubChem (CID 3504521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).