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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Related Compounds

2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 93492412
2-[6-(2-chlorophenyl)-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 167826845
(2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one
CID 177207093
2-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid
CID 151555538
2-(7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)acetic acid
CID 105483472
2-[6-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 71062802
(2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one
CID 125481885
2-(6-cyclotetradecyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid
CID 131992439
5-chloro-2-(1-methylpyrazole-3-carbonyl)-2,3-dihydroinden-1-one
CID 103119454
7-[4-[(6-chloro-3-oxo-1,2-dihydroinden-2-yl)methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 24988455
2-[(2,5-dichlorophenyl)methyl]-2,3-dihydroinden-1-one
CID 65316693
2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid
CID 59766136

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).