2,5-dibromo-2-phenylindene-1,3-dione

C15H8Br2O2 — CID 3043664

IUPAC2,5-dibromo-2-phenylindene-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)C1(Br)c1ccccc1
InChIInChI=1S/C15H8Br2O2/c16-10-6-7-11-12(8-10)14(19)15(17,13(11)18)9-4-2-1-3-5-9/h1-8H
InChIKeyAUNDFWBOQYUPRJ-UHFFFAOYSA-N
MW380.04 g/mol
LogP4.12
Rot. Bonds1

About 2,5-dibromo-2-phenylindene-1,3-dione

2,5-dibromo-2-phenylindene-1,3-dione (PubChem CID 3043664) has the molecular formula C15H8Br2O2 and a molecular weight of 380.04 g/mol. Its IUPAC name is 2,5-dibromo-2-phenylindene-1,3-dione.

Molecular Properties

Compound Name2,5-dibromo-2-phenylindene-1,3-dione
PubChem CID3043664
Molecular FormulaC15H8Br2O2
Molecular Weight380.04 g/mol
Exact Mass377.89
IUPAC Name2,5-dibromo-2-phenylindene-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)C1(Br)c1ccccc1
InChIInChI=1S/C15H8Br2O2/c16-10-6-7-11-12(8-10)14(19)15(17,13(11)18)9-4-2-1-3-5-9/h1-8H
InChIKeyAUNDFWBOQYUPRJ-UHFFFAOYSA-N
XLogP4.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.04
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-2-phenylindene-1,3-dione?
The IUPAC name of 2,5-dibromo-2-phenylindene-1,3-dione (CID 3043664) is 2,5-dibromo-2-phenylindene-1,3-dione.
What is the SMILES notation for 2,5-dibromo-2-phenylindene-1,3-dione?
The canonical SMILES for 2,5-dibromo-2-phenylindene-1,3-dione is O=C1c2ccc(Br)cc2C(=O)C1(Br)c1ccccc1.
What is the InChIKey of 2,5-dibromo-2-phenylindene-1,3-dione?
The InChIKey is AUNDFWBOQYUPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2O2/c16-10-6-7-11-12(8-10)14(19)15(17,13(11)18)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2,5-dibromo-2-phenylindene-1,3-dione?
2,5-dibromo-2-phenylindene-1,3-dione has a molecular weight of 380.04 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-2-phenylindene-1,3-dione is sourced from PubChem (CID 3043664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).