2-(5-hydroxy-3-oxo-1,2-dihydroinden-1-yl)propanoic acid

C12H12O4 — CID 67438209

IUPAC2-(5-hydroxy-3-oxo-1,2-dihydroinden-1-yl)propanoic acid
SMILESCC(C(=O)O)C1CC(=O)c2cc(O)ccc21
InChIInChI=1S/C12H12O4/c1-6(12(15)16)9-5-11(14)10-4-7(13)2-3-8(9)10/h2-4,6,9,13H,5H2,1H3,(H,15,16)
InChIKeyYFRGTAWDNBKPMI-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.78
Rot. Bonds2

About 2-(5-hydroxy-3-oxo-1,2-dihydroinden-1-yl)propanoic acid

2-(5-hydroxy-3-oxo-1,2-dihydroinden-1-yl)propanoic acid (PubChem CID 67438209) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-(5-hydroxy-3-oxo-1,2-dihydroinden-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-hydroxy-3-oxo-1,2-dihydroinden-1-yl)propanoic acid
PubChem CID67438209
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name2-(5-hydroxy-3-oxo-1,2-dihydroinden-1-yl)propanoic acid
SMILESCC(C(=O)O)C1CC(=O)c2cc(O)ccc21
InChIInChI=1S/C12H12O4/c1-6(12(15)16)9-5-11(14)10-4-7(13)2-3-8(9)10/h2-4,6,9,13H,5H2,1H3,(H,15,16)
InChIKeyYFRGTAWDNBKPMI-UHFFFAOYSA-N
XLogP1.78
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-3-oxo-1,2-dihydroinden-1-yl)propanoic acid?
The IUPAC name of 2-(5-hydroxy-3-oxo-1,2-dihydroinden-1-yl)propanoic acid (CID 67438209) is 2-(5-hydroxy-3-oxo-1,2-dihydroinden-1-yl)propanoic acid.
What is the SMILES notation for 2-(5-hydroxy-3-oxo-1,2-dihydroinden-1-yl)propanoic acid?
The canonical SMILES for 2-(5-hydroxy-3-oxo-1,2-dihydroinden-1-yl)propanoic acid is CC(C(=O)O)C1CC(=O)c2cc(O)ccc21.
What is the InChIKey of 2-(5-hydroxy-3-oxo-1,2-dihydroinden-1-yl)propanoic acid?
The InChIKey is YFRGTAWDNBKPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-6(12(15)16)9-5-11(14)10-4-7(13)2-3-8(9)10/h2-4,6,9,13H,5H2,1H3,(H,15,16).
What are the key properties of 2-(5-hydroxy-3-oxo-1,2-dihydroinden-1-yl)propanoic acid?
2-(5-hydroxy-3-oxo-1,2-dihydroinden-1-yl)propanoic acid has a molecular weight of 220.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-3-oxo-1,2-dihydroinden-1-yl)propanoic acid is sourced from PubChem (CID 67438209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).