5-phenylmethoxyisoindole-1,3-dione

C15H11NO3 — CID 10682287

IUPAC5-phenylmethoxyisoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C15H11NO3/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)
InChIKeyWPHMZNGQBMYTKD-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.15
Rot. Bonds3

About 5-phenylmethoxyisoindole-1,3-dione

5-phenylmethoxyisoindole-1,3-dione (PubChem CID 10682287) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-phenylmethoxyisoindole-1,3-dione.

Molecular Properties

Compound Name5-phenylmethoxyisoindole-1,3-dione
PubChem CID10682287
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name5-phenylmethoxyisoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C15H11NO3/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)
InChIKeyWPHMZNGQBMYTKD-UHFFFAOYSA-N
XLogP2.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 119652
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CID 25266311
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CID 25271539
CID 4988615
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CID 867501
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CID 973136
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CID 834420
CID 834420
CID 977863
CID 977863
CID 3653878
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CID 249759
CID 249759

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxyisoindole-1,3-dione?
The IUPAC name of 5-phenylmethoxyisoindole-1,3-dione (CID 10682287) is 5-phenylmethoxyisoindole-1,3-dione.
What is the SMILES notation for 5-phenylmethoxyisoindole-1,3-dione?
The canonical SMILES for 5-phenylmethoxyisoindole-1,3-dione is O=C1NC(=O)c2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 5-phenylmethoxyisoindole-1,3-dione?
The InChIKey is WPHMZNGQBMYTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18).
What are the key properties of 5-phenylmethoxyisoindole-1,3-dione?
5-phenylmethoxyisoindole-1,3-dione has a molecular weight of 253.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxyisoindole-1,3-dione is sourced from PubChem (CID 10682287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).