2-[(4-phenylphenyl)methyl]isoindole-1,3-dione

C21H15NO2 — CID 7663732

IUPAC2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H15NO2/c23-20-18-8-4-5-9-19(18)21(24)22(20)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyCVJCRESTDNBBME-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.15
Rot. Bonds3

About 2-[(4-phenylphenyl)methyl]isoindole-1,3-dione

2-[(4-phenylphenyl)methyl]isoindole-1,3-dione (PubChem CID 7663732) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
PubChem CID7663732
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H15NO2/c23-20-18-8-4-5-9-19(18)21(24)22(20)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyCVJCRESTDNBBME-UHFFFAOYSA-N
XLogP4.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
2-[(4-propylphenyl)methyl]isoindole-1,3-dione
CID 118513791
2-[(4-methylphenyl)methyl]isoquinoline-1,3,4-trione
CID 177415175
2-[[4-[4-(indol-1-ylmethyl)phenyl]phenyl]methyl]isoindole-1,3-dione
CID 139959456
2-[(4-phenylphenyl)methylsulfanylmethyl]isoindole-1,3-dione
CID 15147130
2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione
CID 174552693
methyl 3-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]benzoate
CID 20601400
2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione
CID 12958495
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonyl chloride;sulfurochloridic acid
CID 159849106
1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
CID 8626573
2-[[4-(difluoromethylsulfanyl)phenyl]methyl]isoindole-1,3-dione
CID 52801221

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(4-phenylphenyl)methyl]isoindole-1,3-dione (CID 7663732) is 2-[(4-phenylphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-phenylphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-phenylphenyl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenylphenyl)methyl]isoindole-1,3-dione?
The InChIKey is CVJCRESTDNBBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c23-20-18-8-4-5-9-19(18)21(24)22(20)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13H,14H2.
What are the key properties of 2-[(4-phenylphenyl)methyl]isoindole-1,3-dione?
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione has a molecular weight of 313.36 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 7663732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).