2-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid

C11H9ClO3 — CID 151555538

IUPAC2-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid
SMILESO=C(O)CC1Cc2cccc(Cl)c2C1=O
InChIInChI=1S/C11H9ClO3/c12-8-3-1-2-6-4-7(5-9(13)14)11(15)10(6)8/h1-3,7H,4-5H2,(H,13,14)
InChIKeyQBJSOGZHEDQJEZ-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.17
Rot. Bonds2

About 2-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid

2-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid (PubChem CID 151555538) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is 2-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid
PubChem CID151555538
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name2-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid
SMILESO=C(O)CC1Cc2cccc(Cl)c2C1=O
InChIInChI=1S/C11H9ClO3/c12-8-3-1-2-6-4-7(5-9(13)14)11(15)10(6)8/h1-3,7H,4-5H2,(H,13,14)
InChIKeyQBJSOGZHEDQJEZ-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-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid?
The IUPAC name of 2-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid (CID 151555538) is 2-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid is O=C(O)CC1Cc2cccc(Cl)c2C1=O.
What is the InChIKey of 2-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid?
The InChIKey is QBJSOGZHEDQJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c12-8-3-1-2-6-4-7(5-9(13)14)11(15)10(6)8/h1-3,7H,4-5H2,(H,13,14).
What are the key properties of 2-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid?
2-(4-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-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid is sourced from PubChem (CID 151555538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).