ethane;2-[2-hydroxy-3-(2-methyl-3-phenylphenyl)propyl]isoindole-1,3-dione

C28H33NO3 — CID 91283970

IUPACethane;2-[2-hydroxy-3-(2-methyl-3-phenylphenyl)propyl]isoindole-1,3-dione
SMILESCC.CC.Cc1c(CC(O)CN2C(=O)c3ccccc3C2=O)cccc1-c1ccccc1
InChIInChI=1S/C24H21NO3.2C2H6/c1-16-18(10-7-13-20(16)17-8-3-2-4-9-17)14-19(26)15-25-23(27)21-11-5-6-12-22(21)24(25)28;2*1-2/h2-13,19,26H,14-15H2,1H3;2*1-2H3
InChIKeyCXLUDIMFBGZYBH-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.91
Rot. Bonds5

About ethane;2-[2-hydroxy-3-(2-methyl-3-phenylphenyl)propyl]isoindole-1,3-dione

ethane;2-[2-hydroxy-3-(2-methyl-3-phenylphenyl)propyl]isoindole-1,3-dione (PubChem CID 91283970) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is ethane;2-[2-hydroxy-3-(2-methyl-3-phenylphenyl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Nameethane;2-[2-hydroxy-3-(2-methyl-3-phenylphenyl)propyl]isoindole-1,3-dione
PubChem CID91283970
Molecular FormulaC28H33NO3
Molecular Weight431.58 g/mol
Exact Mass431.25
IUPAC Nameethane;2-[2-hydroxy-3-(2-methyl-3-phenylphenyl)propyl]isoindole-1,3-dione
SMILESCC.CC.Cc1c(CC(O)CN2C(=O)c3ccccc3C2=O)cccc1-c1ccccc1
InChIInChI=1S/C24H21NO3.2C2H6/c1-16-18(10-7-13-20(16)17-8-3-2-4-9-17)14-19(26)15-25-23(27)21-11-5-6-12-22(21)24(25)28;2*1-2/h2-13,19,26H,14-15H2,1H3;2*1-2H3
InChIKeyCXLUDIMFBGZYBH-UHFFFAOYSA-N
XLogP5.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.91
H-Bond Donors ≤ 51
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 ethane;2-[2-hydroxy-3-(2-methyl-3-phenylphenyl)propyl]isoindole-1,3-dione?
The IUPAC name of ethane;2-[2-hydroxy-3-(2-methyl-3-phenylphenyl)propyl]isoindole-1,3-dione (CID 91283970) is ethane;2-[2-hydroxy-3-(2-methyl-3-phenylphenyl)propyl]isoindole-1,3-dione.
What is the SMILES notation for ethane;2-[2-hydroxy-3-(2-methyl-3-phenylphenyl)propyl]isoindole-1,3-dione?
The canonical SMILES for ethane;2-[2-hydroxy-3-(2-methyl-3-phenylphenyl)propyl]isoindole-1,3-dione is CC.CC.Cc1c(CC(O)CN2C(=O)c3ccccc3C2=O)cccc1-c1ccccc1.
What is the InChIKey of ethane;2-[2-hydroxy-3-(2-methyl-3-phenylphenyl)propyl]isoindole-1,3-dione?
The InChIKey is CXLUDIMFBGZYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3.2C2H6/c1-16-18(10-7-13-20(16)17-8-3-2-4-9-17)14-19(26)15-25-23(27)21-11-5-6-12-22(21)24(25)28;2*1-2/h2-13,19,26H,14-15H2,1H3;2*1-2H3.
What are the key properties of ethane;2-[2-hydroxy-3-(2-methyl-3-phenylphenyl)propyl]isoindole-1,3-dione?
ethane;2-[2-hydroxy-3-(2-methyl-3-phenylphenyl)propyl]isoindole-1,3-dione has a molecular weight of 431.58 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-hydroxy-3-(2-methyl-3-phenylphenyl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 91283970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).