2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid

C11H9ClO3 — CID 18424529

IUPAC2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid
SMILESO=C(O)CC1Cc2cc(Cl)ccc2C1=O
InChIInChI=1S/C11H9ClO3/c12-8-1-2-9-6(4-8)3-7(11(9)15)5-10(13)14/h1-2,4,7H,3,5H2,(H,13,14)
InChIKeyDRFDTWXPLVVLGF-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.17
Rot. Bonds2

About 2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid

2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid (PubChem CID 18424529) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid
PubChem CID18424529
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid
SMILESO=C(O)CC1Cc2cc(Cl)ccc2C1=O
InChIInChI=1S/C11H9ClO3/c12-8-1-2-9-6(4-8)3-7(11(9)15)5-10(13)14/h1-2,4,7H,3,5H2,(H,13,14)
InChIKeyDRFDTWXPLVVLGF-UHFFFAOYSA-N
XLogP2.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid?
The IUPAC name of 2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid (CID 18424529) is 2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid is O=C(O)CC1Cc2cc(Cl)ccc2C1=O.
What is the InChIKey of 2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid?
The InChIKey is DRFDTWXPLVVLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c12-8-1-2-9-6(4-8)3-7(11(9)15)5-10(13)14/h1-2,4,7H,3,5H2,(H,13,14).
What are the key properties of 2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid?
2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid has a molecular weight of 224.64 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid is sourced from PubChem (CID 18424529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).