2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid

C11H9BrO3 — CID 21221834

IUPAC2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid
SMILESO=C(O)CC1Cc2ccc(Br)cc2C1=O
InChIInChI=1S/C11H9BrO3/c12-8-2-1-6-3-7(4-10(13)14)11(15)9(6)5-8/h1-2,5,7H,3-4H2,(H,13,14)
InChIKeyFVODCNPPJOKTQC-UHFFFAOYSA-N
MW269.09 g/mol
LogP2.28
Rot. Bonds2

About 2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid

2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid (PubChem CID 21221834) has the molecular formula C11H9BrO3 and a molecular weight of 269.09 g/mol. Its IUPAC name is 2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid
PubChem CID21221834
Molecular FormulaC11H9BrO3
Molecular Weight269.09 g/mol
Exact Mass267.97
IUPAC Name2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid
SMILESO=C(O)CC1Cc2ccc(Br)cc2C1=O
InChIInChI=1S/C11H9BrO3/c12-8-2-1-6-3-7(4-10(13)14)11(15)9(6)5-8/h1-2,5,7H,3-4H2,(H,13,14)
InChIKeyFVODCNPPJOKTQC-UHFFFAOYSA-N
XLogP2.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid?
The IUPAC name of 2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid (CID 21221834) is 2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid.
What is the SMILES notation for 2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid?
The canonical SMILES for 2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid is O=C(O)CC1Cc2ccc(Br)cc2C1=O.
What is the InChIKey of 2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid?
The InChIKey is FVODCNPPJOKTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO3/c12-8-2-1-6-3-7(4-10(13)14)11(15)9(6)5-8/h1-2,5,7H,3-4H2,(H,13,14).
What are the key properties of 2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid?
2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid has a molecular weight of 269.09 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid is sourced from PubChem (CID 21221834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).