2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid

C13H14O3 — CID 82158605

IUPAC2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid
SMILESCc1ccc2c(c1)C(=O)CC2(C)CC(=O)O
InChIInChI=1S/C13H14O3/c1-8-3-4-10-9(5-8)11(14)6-13(10,2)7-12(15)16/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyVRNPLEWFMJXFMS-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.31
Rot. Bonds2

About 2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid

2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid (PubChem CID 82158605) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid
PubChem CID82158605
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid
SMILESCc1ccc2c(c1)C(=O)CC2(C)CC(=O)O
InChIInChI=1S/C13H14O3/c1-8-3-4-10-9(5-8)11(14)6-13(10,2)7-12(15)16/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyVRNPLEWFMJXFMS-UHFFFAOYSA-N
XLogP2.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid
CID 10822899
2-(1-methyl-3-oxo-5-propan-2-yl-2H-inden-1-yl)acetic acid
CID 82159460
3,3,6-trimethyl-2H-inden-1-one
CID 594538
(4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one
CID 102352796
2-(3,6-dimethyl-2H-1-benzofuran-3-yl)acetic acid
CID 10845939
2-(3,6-dimethyl-4-oxo-2H-chromen-3-yl)acetic acid
CID 119026771
1,1,6-trimethyl-2,3-dihydroisoquinolin-4-one
CID 123720628
2-(2-hydroxyethyl)-2,6-dimethyl-3H-inden-1-one
CID 58951213
2-(2,3,4-trifluoro-7-methyl-1-oxo-3,4-dihydronaphthalen-2-yl)acetic acid
CID 88600886
2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
CID 82082492
2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid
CID 82160061
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid?
The IUPAC name of 2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid (CID 82158605) is 2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid.
What is the SMILES notation for 2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid?
The canonical SMILES for 2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid is Cc1ccc2c(c1)C(=O)CC2(C)CC(=O)O.
What is the InChIKey of 2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid?
The InChIKey is VRNPLEWFMJXFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-8-3-4-10-9(5-8)11(14)6-13(10,2)7-12(15)16/h3-5H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid?
2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid has a molecular weight of 218.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid is sourced from PubChem (CID 82158605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).