2-[3-[5-(2-methylphenyl)-2-phenylmethoxyphenyl]propyl]isoindole-1,3-dione

C31H27NO3 — CID 18779093

IUPAC2-[3-[5-(2-methylphenyl)-2-phenylmethoxyphenyl]propyl]isoindole-1,3-dione
SMILESCc1ccccc1-c1ccc(OCc2ccccc2)c(CCCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C31H27NO3/c1-22-10-5-6-14-26(22)24-17-18-29(35-21-23-11-3-2-4-12-23)25(20-24)13-9-19-32-30(33)27-15-7-8-16-28(27)31(32)34/h2-8,10-12,14-18,20H,9,13,19,21H2,1H3
InChIKeyZSAZNGHOVDAJRW-UHFFFAOYSA-N
MW461.56 g/mol
LogP6.47
Rot. Bonds8

About 2-[3-[5-(2-methylphenyl)-2-phenylmethoxyphenyl]propyl]isoindole-1,3-dione

2-[3-[5-(2-methylphenyl)-2-phenylmethoxyphenyl]propyl]isoindole-1,3-dione (PubChem CID 18779093) has the molecular formula C31H27NO3 and a molecular weight of 461.56 g/mol. Its IUPAC name is 2-[3-[5-(2-methylphenyl)-2-phenylmethoxyphenyl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[5-(2-methylphenyl)-2-phenylmethoxyphenyl]propyl]isoindole-1,3-dione
PubChem CID18779093
Molecular FormulaC31H27NO3
Molecular Weight461.56 g/mol
Exact Mass461.20
IUPAC Name2-[3-[5-(2-methylphenyl)-2-phenylmethoxyphenyl]propyl]isoindole-1,3-dione
SMILESCc1ccccc1-c1ccc(OCc2ccccc2)c(CCCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C31H27NO3/c1-22-10-5-6-14-26(22)24-17-18-29(35-21-23-11-3-2-4-12-23)25(20-24)13-9-19-32-30(33)27-15-7-8-16-28(27)31(32)34/h2-8,10-12,14-18,20H,9,13,19,21H2,1H3
InChIKeyZSAZNGHOVDAJRW-UHFFFAOYSA-N
XLogP6.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3,4-bis(phenylmethoxy)phenyl]propyl]isoindole-1,3-dione
CID 57409671
CID 171374663
CID 171374663
2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione
CID 53328839
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione
CID 58707349
2-[12-(4-methyl-2-phenylphenoxy)dodecyl]isoindole-1,3-dione
CID 70494668
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
3-[5-(2-nitrophenyl)-2-phenylmethoxyphenyl]propanoic acid
CID 24804842
1-[3-(5-bromo-2-phenylmethoxyphenyl)propyl]-4-methylpiperazine
CID 170863402
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[3-[3-(4-methoxybutoxy)phenyl]propyl]isoindole-1,3-dione
CID 67316748
2-[2-[4-[[3-fluoro-2-(2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethyl]isoindole-1,3-dione
CID 139336363

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-methylphenyl)-2-phenylmethoxyphenyl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[5-(2-methylphenyl)-2-phenylmethoxyphenyl]propyl]isoindole-1,3-dione (CID 18779093) is 2-[3-[5-(2-methylphenyl)-2-phenylmethoxyphenyl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[5-(2-methylphenyl)-2-phenylmethoxyphenyl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[5-(2-methylphenyl)-2-phenylmethoxyphenyl]propyl]isoindole-1,3-dione is Cc1ccccc1-c1ccc(OCc2ccccc2)c(CCCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[3-[5-(2-methylphenyl)-2-phenylmethoxyphenyl]propyl]isoindole-1,3-dione?
The InChIKey is ZSAZNGHOVDAJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NO3/c1-22-10-5-6-14-26(22)24-17-18-29(35-21-23-11-3-2-4-12-23)25(20-24)13-9-19-32-30(33)27-15-7-8-16-28(27)31(32)34/h2-8,10-12,14-18,20H,9,13,19,21H2,1H3.
What are the key properties of 2-[3-[5-(2-methylphenyl)-2-phenylmethoxyphenyl]propyl]isoindole-1,3-dione?
2-[3-[5-(2-methylphenyl)-2-phenylmethoxyphenyl]propyl]isoindole-1,3-dione has a molecular weight of 461.56 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-methylphenyl)-2-phenylmethoxyphenyl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 18779093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).