5-(2-phenylethoxy)isoindole-1,3-dione

C16H13NO3 — CID 56659353

IUPAC5-(2-phenylethoxy)isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(OCCc3ccccc3)ccc21
InChIInChI=1S/C16H13NO3/c18-15-13-7-6-12(10-14(13)16(19)17-15)20-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18,19)
InChIKeyRSQYUPDAQKZEBV-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.19
Rot. Bonds4

About 5-(2-phenylethoxy)isoindole-1,3-dione

5-(2-phenylethoxy)isoindole-1,3-dione (PubChem CID 56659353) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-(2-phenylethoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(2-phenylethoxy)isoindole-1,3-dione
PubChem CID56659353
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name5-(2-phenylethoxy)isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(OCCc3ccccc3)ccc21
InChIInChI=1S/C16H13NO3/c18-15-13-7-6-12(10-14(13)16(19)17-15)20-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18,19)
InChIKeyRSQYUPDAQKZEBV-UHFFFAOYSA-N
XLogP2.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.19
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 5-(2-phenylethoxy)isoindole-1,3-dione?
The IUPAC name of 5-(2-phenylethoxy)isoindole-1,3-dione (CID 56659353) is 5-(2-phenylethoxy)isoindole-1,3-dione.
What is the SMILES notation for 5-(2-phenylethoxy)isoindole-1,3-dione?
The canonical SMILES for 5-(2-phenylethoxy)isoindole-1,3-dione is O=C1NC(=O)c2cc(OCCc3ccccc3)ccc21.
What is the InChIKey of 5-(2-phenylethoxy)isoindole-1,3-dione?
The InChIKey is RSQYUPDAQKZEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-15-13-7-6-12(10-14(13)16(19)17-15)20-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18,19).
What are the key properties of 5-(2-phenylethoxy)isoindole-1,3-dione?
5-(2-phenylethoxy)isoindole-1,3-dione has a molecular weight of 267.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethoxy)isoindole-1,3-dione is sourced from PubChem (CID 56659353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).