2-(2-methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione

C31H27NO3 — CID 156771389

IUPAC2-(2-methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione
SMILESCc1c(-c2ccccc2)cccc1N1C(=O)c2ccc(OCc3ccc(C(C)C)cc3)cc2C1=O
InChIInChI=1S/C31H27NO3/c1-20(2)23-14-12-22(13-15-23)19-35-25-16-17-27-28(18-25)31(34)32(30(27)33)29-11-7-10-26(21(29)3)24-8-5-4-6-9-24/h4-18,20H,19H2,1-3H3
InChIKeyRJYSVUJVJPYYNY-UHFFFAOYSA-N
MW461.56 g/mol
LogP7.17
Rot. Bonds6

About 2-(2-methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione

2-(2-methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione (PubChem CID 156771389) has the molecular formula C31H27NO3 and a molecular weight of 461.56 g/mol. Its IUPAC name is 2-(2-methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione
PubChem CID156771389
Molecular FormulaC31H27NO3
Molecular Weight461.56 g/mol
Exact Mass461.20
IUPAC Name2-(2-methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione
SMILESCc1c(-c2ccccc2)cccc1N1C(=O)c2ccc(OCc3ccc(C(C)C)cc3)cc2C1=O
InChIInChI=1S/C31H27NO3/c1-20(2)23-14-12-22(13-15-23)19-35-25-16-17-27-28(18-25)31(34)32(30(27)33)29-11-7-10-26(21(29)3)24-8-5-4-6-9-24/h4-18,20H,19H2,1-3H3
InChIKeyRJYSVUJVJPYYNY-UHFFFAOYSA-N
XLogP7.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione?
The IUPAC name of 2-(2-methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione (CID 156771389) is 2-(2-methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(2-methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(2-methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione is Cc1c(-c2ccccc2)cccc1N1C(=O)c2ccc(OCc3ccc(C(C)C)cc3)cc2C1=O.
What is the InChIKey of 2-(2-methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione?
The InChIKey is RJYSVUJVJPYYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NO3/c1-20(2)23-14-12-22(13-15-23)19-35-25-16-17-27-28(18-25)31(34)32(30(27)33)29-11-7-10-26(21(29)3)24-8-5-4-6-9-24/h4-18,20H,19H2,1-3H3.
What are the key properties of 2-(2-methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione?
2-(2-methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione has a molecular weight of 461.56 g/mol, XLogP of 7.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 156771389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).