(2S)-2-hydroxy-2-methyl-3H-inden-1-one

C10H10O2 — CID 820079

IUPAC(2S)-2-hydroxy-2-methyl-3H-inden-1-one
SMILESC[C@]1(O)Cc2ccccc2C1=O
InChIInChI=1S/C10H10O2/c1-10(12)6-7-4-2-3-5-8(7)9(10)11/h2-5,12H,6H2,1H3/t10-/m0/s1
InChIKeyGQUURXIPNRUAQK-JTQLQIEISA-N
MW162.19 g/mol
LogP1.18
Rot. Bonds

About (2S)-2-hydroxy-2-methyl-3H-inden-1-one

(2S)-2-hydroxy-2-methyl-3H-inden-1-one (PubChem CID 820079) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-methyl-3H-inden-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-methyl-3H-inden-1-one
PubChem CID820079
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(2S)-2-hydroxy-2-methyl-3H-inden-1-one
SMILESC[C@]1(O)Cc2ccccc2C1=O
InChIInChI=1S/C10H10O2/c1-10(12)6-7-4-2-3-5-8(7)9(10)11/h2-5,12H,6H2,1H3/t10-/m0/s1
InChIKeyGQUURXIPNRUAQK-JTQLQIEISA-N
XLogP1.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ninhydrin
CID 10236
2-Hydroxy-2-methyl-1-phenylpropan-1-one
CID 81984
Hydrindantin
CID 21183
1H-Indene-1-carboxylic acid, 2,3-dihydro-3-oxo-
CID 99815
Pterosin N
CID 148710
Fluoroninhydrin
CID 15287798
5-Fluoro-2,2-dihydroxyindene-1,3-dione
CID 22361311
Cylindrene
CID 190914
(3-Oxoindan-1-yl)acetic acid
CID 212851
1,3-Indandione, 2-hydroxy-2-methylthio-
CID 201325
1-Propanone, 2-hydroxy-2-methyl-1-(4-(1-methylethyl)phenyl)-
CID 112291
1,10-Dihydro-1,10-dihydroxyfluoren-9-one
CID 25202226

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-methyl-3H-inden-1-one?
The IUPAC name of (2S)-2-hydroxy-2-methyl-3H-inden-1-one (CID 820079) is (2S)-2-hydroxy-2-methyl-3H-inden-1-one.
What is the SMILES notation for (2S)-2-hydroxy-2-methyl-3H-inden-1-one?
The canonical SMILES for (2S)-2-hydroxy-2-methyl-3H-inden-1-one is C[C@]1(O)Cc2ccccc2C1=O.
What is the InChIKey of (2S)-2-hydroxy-2-methyl-3H-inden-1-one?
The InChIKey is GQUURXIPNRUAQK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10O2/c1-10(12)6-7-4-2-3-5-8(7)9(10)11/h2-5,12H,6H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-methyl-3H-inden-1-one?
(2S)-2-hydroxy-2-methyl-3H-inden-1-one has a molecular weight of 162.19 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-methyl-3H-inden-1-one is sourced from PubChem (CID 820079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).