3-bromoindeno[1,2-c]isochromene-5,11-dione

C16H7BrO3 — CID 71601089

IUPAC3-bromoindeno[1,2-c]isochromene-5,11-dione
SMILESO=C1c2ccccc2-c2oc(=O)c3cc(Br)ccc3c21
InChIInChI=1S/C16H7BrO3/c17-8-5-6-9-12(7-8)16(19)20-15-11-4-2-1-3-10(11)14(18)13(9)15/h1-7H
InChIKeyGWVCXTIBWBGXQY-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.77
Rot. Bonds

About 3-bromoindeno[1,2-c]isochromene-5,11-dione

3-bromoindeno[1,2-c]isochromene-5,11-dione (PubChem CID 71601089) has the molecular formula C16H7BrO3 and a molecular weight of 327.13 g/mol. Its IUPAC name is 3-bromoindeno[1,2-c]isochromene-5,11-dione.

Molecular Properties

Compound Name3-bromoindeno[1,2-c]isochromene-5,11-dione
PubChem CID71601089
Molecular FormulaC16H7BrO3
Molecular Weight327.13 g/mol
Exact Mass325.96
IUPAC Name3-bromoindeno[1,2-c]isochromene-5,11-dione
SMILESO=C1c2ccccc2-c2oc(=O)c3cc(Br)ccc3c21
InChIInChI=1S/C16H7BrO3/c17-8-5-6-9-12(7-8)16(19)20-15-11-4-2-1-3-10(11)14(18)13(9)15/h1-7H
InChIKeyGWVCXTIBWBGXQY-UHFFFAOYSA-N
XLogP3.77
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromoindeno[1,2-c]isochromene-5,11-dione?
The IUPAC name of 3-bromoindeno[1,2-c]isochromene-5,11-dione (CID 71601089) is 3-bromoindeno[1,2-c]isochromene-5,11-dione.
What is the SMILES notation for 3-bromoindeno[1,2-c]isochromene-5,11-dione?
The canonical SMILES for 3-bromoindeno[1,2-c]isochromene-5,11-dione is O=C1c2ccccc2-c2oc(=O)c3cc(Br)ccc3c21.
What is the InChIKey of 3-bromoindeno[1,2-c]isochromene-5,11-dione?
The InChIKey is GWVCXTIBWBGXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7BrO3/c17-8-5-6-9-12(7-8)16(19)20-15-11-4-2-1-3-10(11)14(18)13(9)15/h1-7H.
What are the key properties of 3-bromoindeno[1,2-c]isochromene-5,11-dione?
3-bromoindeno[1,2-c]isochromene-5,11-dione has a molecular weight of 327.13 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoindeno[1,2-c]isochromene-5,11-dione is sourced from PubChem (CID 71601089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).