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

C10H10O2 — CID 2752951

IUPAC2-hydroxy-2-methyl-3H-inden-1-one
SMILESCC1(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
InChIKeyGQUURXIPNRUAQK-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.18
Rot. Bonds

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

2-hydroxy-2-methyl-3H-inden-1-one (PubChem CID 2752951) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3H-inden-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3H-inden-1-one
PubChem CID2752951
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name2-hydroxy-2-methyl-3H-inden-1-one
SMILESCC1(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
InChIKeyGQUURXIPNRUAQK-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3H-inden-1-one?
The IUPAC name of 2-hydroxy-2-methyl-3H-inden-1-one (CID 2752951) is 2-hydroxy-2-methyl-3H-inden-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-3H-inden-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-3H-inden-1-one is CC1(O)Cc2ccccc2C1=O.
What is the InChIKey of 2-hydroxy-2-methyl-3H-inden-1-one?
The InChIKey is GQUURXIPNRUAQK-UHFFFAOYSA-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.
What are the key properties of 2-hydroxy-2-methyl-3H-inden-1-one?
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 2-hydroxy-2-methyl-3H-inden-1-one is sourced from PubChem (CID 2752951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).