1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione

C12H10BrNO3 — CID 82124588

IUPAC1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOc1cccc(Br)c1
InChIInChI=1S/C12H10BrNO3/c13-9-2-1-3-10(8-9)17-7-6-14-11(15)4-5-12(14)16/h1-5,8H,6-7H2
InChIKeyQKZWLAWOUUIVPD-UHFFFAOYSA-N
MW296.12 g/mol
LogP1.75
Rot. Bonds4

About 1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione

1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione (PubChem CID 82124588) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione
PubChem CID82124588
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOc1cccc(Br)c1
InChIInChI=1S/C12H10BrNO3/c13-9-2-1-3-10(8-9)17-7-6-14-11(15)4-5-12(14)16/h1-5,8H,6-7H2
InChIKeyQKZWLAWOUUIVPD-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 51.75
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-[2-(3-bromophenoxy)ethyl]isoindole-1,3-dione;ethane
CID 91468658
1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7823968
2-[3-(3-bromophenoxy)propyl]isoindole-1,3-dione
CID 68968338
1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one
CID 54970700
(5R)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171073
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043
3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one
CID 103961936
1-[2-(3-bromophenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 55378562
1-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-2-one
CID 65362287
(5S)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178203
1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione
CID 82116529
7-[2-(3-bromophenoxy)ethyl]-1,3-dimethylpurine-2,6-dione
CID 4808156

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione (CID 82124588) is 1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCOc1cccc(Br)c1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione?
The InChIKey is QKZWLAWOUUIVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c13-9-2-1-3-10(8-9)17-7-6-14-11(15)4-5-12(14)16/h1-5,8H,6-7H2.
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione?
1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione has a molecular weight of 296.12 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 82124588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).