3-hydroxy-3-methyl-2H-inden-1-one

C10H10O2 — CID 102415201

IUPAC3-hydroxy-3-methyl-2H-inden-1-one
SMILESCC1(O)CC(=O)c2ccccc21
InChIInChI=1S/C10H10O2/c1-10(12)6-9(11)7-4-2-3-5-8(7)10/h2-5,12H,6H2,1H3
InChIKeyASVGSPPLTIAHOD-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.48
Rot. Bonds

About 3-hydroxy-3-methyl-2H-inden-1-one

3-hydroxy-3-methyl-2H-inden-1-one (PubChem CID 102415201) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-2H-inden-1-one.

Molecular Properties

Compound Name3-hydroxy-3-methyl-2H-inden-1-one
PubChem CID102415201
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name3-hydroxy-3-methyl-2H-inden-1-one
SMILESCC1(O)CC(=O)c2ccccc21
InChIInChI=1S/C10H10O2/c1-10(12)6-9(11)7-4-2-3-5-8(7)10/h2-5,12H,6H2,1H3
InChIKeyASVGSPPLTIAHOD-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Npc216413
CID 3884
2-Hydroxy-3-methyl-1,4-naphthoquinone
CID 10221
9-oxo-9H-fluorenecarboxylic acid
CID 74083
2-Acetylbenzoic acid
CID 68474
2-Hydroxy-3-(2-methyl-1-propenyl)-1,4-naphthoquinone
CID 231114
Pterosin C
CID 186209
(2R,3R)-3-hydroxy-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3H-inden-1-one
CID 21633068
3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
CID 5320782
3-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-2,3-dihydro-1H-inden-1-one
CID 5320783
Isolapachol
CID 5376552
Q 29 2-Hydroxy-3-isobutyl-1,4-naphthoquinone
CID 231089
(2R,3S)-Pterosin C
CID 46850077

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-2H-inden-1-one?
The IUPAC name of 3-hydroxy-3-methyl-2H-inden-1-one (CID 102415201) is 3-hydroxy-3-methyl-2H-inden-1-one.
What is the SMILES notation for 3-hydroxy-3-methyl-2H-inden-1-one?
The canonical SMILES for 3-hydroxy-3-methyl-2H-inden-1-one is CC1(O)CC(=O)c2ccccc21.
What is the InChIKey of 3-hydroxy-3-methyl-2H-inden-1-one?
The InChIKey is ASVGSPPLTIAHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-10(12)6-9(11)7-4-2-3-5-8(7)10/h2-5,12H,6H2,1H3.
What are the key properties of 3-hydroxy-3-methyl-2H-inden-1-one?
3-hydroxy-3-methyl-2H-inden-1-one has a molecular weight of 162.19 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-2H-inden-1-one is sourced from PubChem (CID 102415201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).