3-methyl-6-phenyl-3H-1-benzofuran-2-one

C15H12O2 — CID 10036570

IUPAC3-methyl-6-phenyl-3H-1-benzofuran-2-one
SMILESCC1C(=O)Oc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C15H12O2/c1-10-13-8-7-12(9-14(13)17-15(10)16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyBGRPXIUQRHVNHM-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.38
Rot. Bonds1

About 3-methyl-6-phenyl-3H-1-benzofuran-2-one

3-methyl-6-phenyl-3H-1-benzofuran-2-one (PubChem CID 10036570) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methyl-6-phenyl-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name3-methyl-6-phenyl-3H-1-benzofuran-2-one
PubChem CID10036570
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name3-methyl-6-phenyl-3H-1-benzofuran-2-one
SMILESCC1C(=O)Oc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C15H12O2/c1-10-13-8-7-12(9-14(13)17-15(10)16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyBGRPXIUQRHVNHM-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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 3-methyl-6-phenyl-3H-1-benzofuran-2-one?
The IUPAC name of 3-methyl-6-phenyl-3H-1-benzofuran-2-one (CID 10036570) is 3-methyl-6-phenyl-3H-1-benzofuran-2-one.
What is the SMILES notation for 3-methyl-6-phenyl-3H-1-benzofuran-2-one?
The canonical SMILES for 3-methyl-6-phenyl-3H-1-benzofuran-2-one is CC1C(=O)Oc2cc(-c3ccccc3)ccc21.
What is the InChIKey of 3-methyl-6-phenyl-3H-1-benzofuran-2-one?
The InChIKey is BGRPXIUQRHVNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-10-13-8-7-12(9-14(13)17-15(10)16)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 3-methyl-6-phenyl-3H-1-benzofuran-2-one?
3-methyl-6-phenyl-3H-1-benzofuran-2-one has a molecular weight of 224.26 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-3H-1-benzofuran-2-one is sourced from PubChem (CID 10036570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).