1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one

C13H16O2 — CID 10845866

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one
SMILESCC(CO)C(=O)C1CCc2ccccc21
InChIInChI=1S/C13H16O2/c1-9(8-14)13(15)12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12,14H,6-8H2,1H3
InChIKeyYBYZHPRCGDJTSR-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.91
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one

1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one (PubChem CID 10845866) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one
PubChem CID10845866
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one
SMILESCC(CO)C(=O)C1CCc2ccccc21
InChIInChI=1S/C13H16O2/c1-9(8-14)13(15)12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12,14H,6-8H2,1H3
InChIKeyYBYZHPRCGDJTSR-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pterosin B
CID 115049
(2S)-2,3-Dihydro-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one
CID 135017
(R)-Pterosin B
CID 5320780
1H-Indene-1-carboxylic acid, 2,3-dihydro-
CID 85728
2-Indancarboxylic Acid
CID 575777
6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
CID 5320779
1-Indanacetic acid
CID 96501
(1R)-2,3-Dihydro-1H-indene-1-carboxylic acid
CID 12332876
2-(2,3-dihydro-1H-inden-2-yl)acetic Acid
CID 5174955
Methyl 2-oxo-1-indanecarboxylate
CID 10888732
5-Hydroxy-1-phenyldecan-3-one
CID 57397938
5-Hydroxy-1-phenyldodecan-3-one
CID 137432120

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one (CID 10845866) is 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one is CC(CO)C(=O)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one?
The InChIKey is YBYZHPRCGDJTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9(8-14)13(15)12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12,14H,6-8H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one?
1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one has a molecular weight of 204.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 10845866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).