2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid

C12H11BrO3 — CID 70541252

IUPAC2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid
SMILESCC(C(=O)O)C1Cc2cc(Br)ccc2C1=O
InChIInChI=1S/C12H11BrO3/c1-6(12(15)16)10-5-7-4-8(13)2-3-9(7)11(10)14/h2-4,6,10H,5H2,1H3,(H,15,16)
InChIKeyMOGXZJJNNIJVAX-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.52
Rot. Bonds2

About 2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid

2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid (PubChem CID 70541252) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is 2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid
PubChem CID70541252
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid
SMILESCC(C(=O)O)C1Cc2cc(Br)ccc2C1=O
InChIInChI=1S/C12H11BrO3/c1-6(12(15)16)10-5-7-4-8(13)2-3-9(7)11(10)14/h2-4,6,10H,5H2,1H3,(H,15,16)
InChIKeyMOGXZJJNNIJVAX-UHFFFAOYSA-N
XLogP2.52
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 6-bromo-3-oxo-1,2-dihydroindene-2-carboxylate
CID 23158180
(2S)-5-bromo-2-hydroxy-2,3-dihydroinden-1-one
CID 58687126
6-bromo-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
CID 114517204
(2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 93493266
2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 83913658
2-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 83913657
(6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118261769
2-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 117201245
1-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxamide
CID 22903616
(6-bromo-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)methyl-methylcarbamic acid
CID 174214352
2-but-3-en-2-yl-5-methoxy-2,3-dihydroinden-1-one
CID 154720213
7-bromo-3-methyl-3,4-dihydro-2H-naphthalen-1-one;2-methylbutanoic acid
CID 161093393

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid?
The IUPAC name of 2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid (CID 70541252) is 2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid.
What is the SMILES notation for 2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid?
The canonical SMILES for 2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid is CC(C(=O)O)C1Cc2cc(Br)ccc2C1=O.
What is the InChIKey of 2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid?
The InChIKey is MOGXZJJNNIJVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO3/c1-6(12(15)16)10-5-7-4-8(13)2-3-9(7)11(10)14/h2-4,6,10H,5H2,1H3,(H,15,16).
What are the key properties of 2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid?
2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid has a molecular weight of 283.12 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-oxo-1,2-dihydroinden-2-yl)propanoic acid is sourced from PubChem (CID 70541252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).