6-hydroxy-3,3-dimethyl-2H-inden-1-one

C11H12O2 — CID 19365899

IUPAC6-hydroxy-3,3-dimethyl-2H-inden-1-one
SMILESCC1(C)CC(=O)c2cc(O)ccc21
InChIInChI=1S/C11H12O2/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,12H,6H2,1-2H3
InChIKeyQFXMNGLZHJLQRO-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.26
Rot. Bonds

About 6-hydroxy-3,3-dimethyl-2H-inden-1-one

6-hydroxy-3,3-dimethyl-2H-inden-1-one (PubChem CID 19365899) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-hydroxy-3,3-dimethyl-2H-inden-1-one.

Molecular Properties

Compound Name6-hydroxy-3,3-dimethyl-2H-inden-1-one
PubChem CID19365899
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name6-hydroxy-3,3-dimethyl-2H-inden-1-one
SMILESCC1(C)CC(=O)c2cc(O)ccc21
InChIInChI=1S/C11H12O2/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,12H,6H2,1-2H3
InChIKeyQFXMNGLZHJLQRO-UHFFFAOYSA-N
XLogP2.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3,3-dimethyl-2H-inden-1-one?
The IUPAC name of 6-hydroxy-3,3-dimethyl-2H-inden-1-one (CID 19365899) is 6-hydroxy-3,3-dimethyl-2H-inden-1-one.
What is the SMILES notation for 6-hydroxy-3,3-dimethyl-2H-inden-1-one?
The canonical SMILES for 6-hydroxy-3,3-dimethyl-2H-inden-1-one is CC1(C)CC(=O)c2cc(O)ccc21.
What is the InChIKey of 6-hydroxy-3,3-dimethyl-2H-inden-1-one?
The InChIKey is QFXMNGLZHJLQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,12H,6H2,1-2H3.
What are the key properties of 6-hydroxy-3,3-dimethyl-2H-inden-1-one?
6-hydroxy-3,3-dimethyl-2H-inden-1-one has a molecular weight of 176.22 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3,3-dimethyl-2H-inden-1-one is sourced from PubChem (CID 19365899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).