3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one

C23H18O3 — CID 2844898

IUPAC3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one
SMILESC=CCc1ccccc1OC1(c2ccccc2)OC(=O)c2ccccc21
InChIInChI=1S/C23H18O3/c1-2-10-17-11-6-9-16-21(17)25-23(18-12-4-3-5-13-18)20-15-8-7-14-19(20)22(24)26-23/h2-9,11-16H,1,10H2
InChIKeyIVOAPOQXYQRGDG-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.87
Rot. Bonds5

About 3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one

3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one (PubChem CID 2844898) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one.

Molecular Properties

Compound Name3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one
PubChem CID2844898
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one
SMILESC=CCc1ccccc1OC1(c2ccccc2)OC(=O)c2ccccc21
InChIInChI=1S/C23H18O3/c1-2-10-17-11-6-9-16-21(17)25-23(18-12-4-3-5-13-18)20-15-8-7-14-19(20)22(24)26-23/h2-9,11-16H,1,10H2
InChIKeyIVOAPOQXYQRGDG-UHFFFAOYSA-N
XLogP4.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one?
The IUPAC name of 3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one (CID 2844898) is 3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one.
What is the SMILES notation for 3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one?
The canonical SMILES for 3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one is C=CCc1ccccc1OC1(c2ccccc2)OC(=O)c2ccccc21.
What is the InChIKey of 3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one?
The InChIKey is IVOAPOQXYQRGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3/c1-2-10-17-11-6-9-16-21(17)25-23(18-12-4-3-5-13-18)20-15-8-7-14-19(20)22(24)26-23/h2-9,11-16H,1,10H2.
What are the key properties of 3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one?
3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one has a molecular weight of 342.39 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one is sourced from PubChem (CID 2844898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).