5-methoxy-6-phenyl-3H-1-benzofuran-2-one

C15H12O3 — CID 11776419

IUPAC5-methoxy-6-phenyl-3H-1-benzofuran-2-one
SMILESCOc1cc2c(cc1-c1ccccc1)OC(=O)C2
InChIInChI=1S/C15H12O3/c1-17-14-7-11-8-15(16)18-13(11)9-12(14)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKeyWURGJCMSSAIUFF-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.82
Rot. Bonds2

About 5-methoxy-6-phenyl-3H-1-benzofuran-2-one

5-methoxy-6-phenyl-3H-1-benzofuran-2-one (PubChem CID 11776419) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-methoxy-6-phenyl-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name5-methoxy-6-phenyl-3H-1-benzofuran-2-one
PubChem CID11776419
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name5-methoxy-6-phenyl-3H-1-benzofuran-2-one
SMILESCOc1cc2c(cc1-c1ccccc1)OC(=O)C2
InChIInChI=1S/C15H12O3/c1-17-14-7-11-8-15(16)18-13(11)9-12(14)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKeyWURGJCMSSAIUFF-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
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 5-methoxy-6-phenyl-3H-1-benzofuran-2-one?
The IUPAC name of 5-methoxy-6-phenyl-3H-1-benzofuran-2-one (CID 11776419) is 5-methoxy-6-phenyl-3H-1-benzofuran-2-one.
What is the SMILES notation for 5-methoxy-6-phenyl-3H-1-benzofuran-2-one?
The canonical SMILES for 5-methoxy-6-phenyl-3H-1-benzofuran-2-one is COc1cc2c(cc1-c1ccccc1)OC(=O)C2.
What is the InChIKey of 5-methoxy-6-phenyl-3H-1-benzofuran-2-one?
The InChIKey is WURGJCMSSAIUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-17-14-7-11-8-15(16)18-13(11)9-12(14)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3.
What are the key properties of 5-methoxy-6-phenyl-3H-1-benzofuran-2-one?
5-methoxy-6-phenyl-3H-1-benzofuran-2-one has a molecular weight of 240.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-phenyl-3H-1-benzofuran-2-one is sourced from PubChem (CID 11776419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).