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

C10H10O2 — CID 100988192

IUPAC(3R)-3-hydroxy-3-methyl-1H-inden-2-one
SMILESC[C@]1(O)C(=O)Cc2ccccc21
InChIInChI=1S/C10H10O2/c1-10(12)8-5-3-2-4-7(8)6-9(10)11/h2-5,12H,6H2,1H3/t10-/m1/s1
InChIKeyXUKDVIMKLNZYQN-SNVBAGLBSA-N
MW162.19 g/mol
LogP1.02
Rot. Bonds

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

(3R)-3-hydroxy-3-methyl-1H-inden-2-one (PubChem CID 100988192) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-methyl-1H-inden-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-methyl-1H-inden-2-one
PubChem CID100988192
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(3R)-3-hydroxy-3-methyl-1H-inden-2-one
SMILESC[C@]1(O)C(=O)Cc2ccccc21
InChIInChI=1S/C10H10O2/c1-10(12)8-5-3-2-4-7(8)6-9(10)11/h2-5,12H,6H2,1H3/t10-/m1/s1
InChIKeyXUKDVIMKLNZYQN-SNVBAGLBSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-methyl-1H-inden-2-one?
The IUPAC name of (3R)-3-hydroxy-3-methyl-1H-inden-2-one (CID 100988192) is (3R)-3-hydroxy-3-methyl-1H-inden-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-methyl-1H-inden-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-methyl-1H-inden-2-one is C[C@]1(O)C(=O)Cc2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-3-methyl-1H-inden-2-one?
The InChIKey is XUKDVIMKLNZYQN-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10O2/c1-10(12)8-5-3-2-4-7(8)6-9(10)11/h2-5,12H,6H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-methyl-1H-inden-2-one?
(3R)-3-hydroxy-3-methyl-1H-inden-2-one has a molecular weight of 162.19 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-methyl-1H-inden-2-one is sourced from PubChem (CID 100988192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).