2-[(2-bromophenyl)methoxy]isoindole-1,3-dione

C15H10BrNO3 — CID 2763490

IUPAC2-[(2-bromophenyl)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1ccccc1Br
InChIInChI=1S/C15H10BrNO3/c16-13-8-4-1-5-10(13)9-20-17-14(18)11-6-2-3-7-12(11)15(17)19/h1-8H,9H2
InChIKeyOIDGPYPXEXNORN-UHFFFAOYSA-N
MW332.15 g/mol
LogP3.18
Rot. Bonds3

About 2-[(2-bromophenyl)methoxy]isoindole-1,3-dione

2-[(2-bromophenyl)methoxy]isoindole-1,3-dione (PubChem CID 2763490) has the molecular formula C15H10BrNO3 and a molecular weight of 332.15 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]isoindole-1,3-dione
PubChem CID2763490
Molecular FormulaC15H10BrNO3
Molecular Weight332.15 g/mol
Exact Mass330.98
IUPAC Name2-[(2-bromophenyl)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1ccccc1Br
InChIInChI=1S/C15H10BrNO3/c16-13-8-4-1-5-10(13)9-20-17-14(18)11-6-2-3-7-12(11)15(17)19/h1-8H,9H2
InChIKeyOIDGPYPXEXNORN-UHFFFAOYSA-N
XLogP3.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 53.18
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-bromophenyl)methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(2-bromophenyl)methoxy]isoindole-1,3-dione (CID 2763490) is 2-[(2-bromophenyl)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]isoindole-1,3-dione?
The InChIKey is OIDGPYPXEXNORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3/c16-13-8-4-1-5-10(13)9-20-17-14(18)11-6-2-3-7-12(11)15(17)19/h1-8H,9H2.
What are the key properties of 2-[(2-bromophenyl)methoxy]isoindole-1,3-dione?
2-[(2-bromophenyl)methoxy]isoindole-1,3-dione has a molecular weight of 332.15 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 2763490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).