2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione

C23H15NO4 — CID 517851

IUPAC2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC1(c2ccccc2)C(=O)Oc2ccccc21
InChIInChI=1S/C23H15NO4/c25-20-16-10-4-5-11-17(16)21(26)24(20)14-23(15-8-2-1-3-9-15)18-12-6-7-13-19(18)28-22(23)27/h1-13H,14H2
InChIKeyWNZWSRHNHYFKEY-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.19
Rot. Bonds3

About 2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione

2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione (PubChem CID 517851) has the molecular formula C23H15NO4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione
PubChem CID517851
Molecular FormulaC23H15NO4
Molecular Weight369.38 g/mol
Exact Mass369.10
IUPAC Name2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC1(c2ccccc2)C(=O)Oc2ccccc21
InChIInChI=1S/C23H15NO4/c25-20-16-10-4-5-11-17(16)21(26)24(20)14-23(15-8-2-1-3-9-15)18-12-6-7-13-19(18)28-22(23)27/h1-13H,14H2
InChIKeyWNZWSRHNHYFKEY-UHFFFAOYSA-N
XLogP3.19
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-nonyl-3-phenyl-1-benzofuran-2-one
CID 23503882
(3S)-3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one
CID 66584151
(3S)-3-[(2-methylphenyl)methyl]-3-phenyl-1-benzofuran-2-one
CID 162398251
3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride
CID 70683055
3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
CID 138400584
(3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one
CID 101368746
3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
CID 138400585
(3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-(4-chlorophenyl)-1-benzofuran-2-one
CID 57386755
3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one
CID 13001542
2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid
CID 14303494
(3S)-3-benzyl-5-methyl-3-phenyl-1-benzofuran-2-one
CID 162398249
(10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione
CID 138979221

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione (CID 517851) is 2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC1(c2ccccc2)C(=O)Oc2ccccc21.
What is the InChIKey of 2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione?
The InChIKey is WNZWSRHNHYFKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO4/c25-20-16-10-4-5-11-17(16)21(26)24(20)14-23(15-8-2-1-3-9-15)18-12-6-7-13-19(18)28-22(23)27/h1-13H,14H2.
What are the key properties of 2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione?
2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione has a molecular weight of 369.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 517851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).