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

C14H18O2 — CID 134833380

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-3-methylbutan-1-one
SMILESCC(C)(O)CC(=O)C1CCc2ccccc21
InChIInChI=1S/C14H18O2/c1-14(2,16)9-13(15)12-8-7-10-5-3-4-6-11(10)12/h3-6,12,16H,7-9H2,1-2H3
InChIKeyVGUMNWWTZJPXGQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.45
Rot. Bonds3

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

1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-3-methylbutan-1-one (PubChem CID 134833380) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-3-methylbutan-1-one
PubChem CID134833380
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-3-methylbutan-1-one
SMILESCC(C)(O)CC(=O)C1CCc2ccccc21
InChIInChI=1S/C14H18O2/c1-14(2,16)9-13(15)12-8-7-10-5-3-4-6-11(10)12/h3-6,12,16H,7-9H2,1-2H3
InChIKeyVGUMNWWTZJPXGQ-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-3-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Indene-1-carboxylic acid, 2,3-dihydro-
CID 85728
2-Indancarboxylic Acid
CID 575777
Fluorene-9-acetic acid
CID 94852
1-Indanacetic acid
CID 96501
2-(2-Isopropyl-5-indanyl)propionic acid
CID 68769
(1R)-2,3-Dihydro-1H-indene-1-carboxylic acid
CID 12332876
5-Acetylindane
CID 138158
(2-Methyl-2,3-dihydro-1H-inden-5-yl)acetic acid
CID 3044360
1-Indanacetic acid, 3-phenyl-
CID 3054945
1-Indanpropionic acid, 3-phenyl-
CID 3055290
1-methyl-2,3-dihydro-1H-inden-2-one
CID 583096
2-(2,3-dihydro-1H-inden-2-yl)acetic Acid
CID 5174955

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-3-methylbutan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-3-methylbutan-1-one (CID 134833380) is 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-3-methylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-3-methylbutan-1-one is CC(C)(O)CC(=O)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-3-methylbutan-1-one?
The InChIKey is VGUMNWWTZJPXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(2,16)9-13(15)12-8-7-10-5-3-4-6-11(10)12/h3-6,12,16H,7-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-3-methylbutan-1-one?
1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-3-methylbutan-1-one has a molecular weight of 218.30 g/mol, XLogP of 2.45, 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-3-methylbutan-1-one is sourced from PubChem (CID 134833380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).