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

C11H12O2 — CID 15090452

IUPAC2-hydroxy-3,3-dimethyl-2H-inden-1-one
SMILESCC1(C)c2ccccc2C(=O)C1O
InChIInChI=1S/C11H12O2/c1-11(2)8-6-4-3-5-7(8)9(12)10(11)13/h3-6,10,13H,1-2H3
InChIKeyZYLHGPHDTFANBL-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.52
Rot. Bonds

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

2-hydroxy-3,3-dimethyl-2H-inden-1-one (PubChem CID 15090452) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-hydroxy-3,3-dimethyl-2H-inden-1-one.

Molecular Properties

Compound Name2-hydroxy-3,3-dimethyl-2H-inden-1-one
PubChem CID15090452
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-hydroxy-3,3-dimethyl-2H-inden-1-one
SMILESCC1(C)c2ccccc2C(=O)C1O
InChIInChI=1S/C11H12O2/c1-11(2)8-6-4-3-5-7(8)9(12)10(11)13/h3-6,10,13H,1-2H3
InChIKeyZYLHGPHDTFANBL-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ninhydrin
CID 10236
Pterosin B
CID 115049
2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione
CID 3035279
(2S)-2,3-Dihydro-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one
CID 135017
(R)-Pterosin B
CID 5320780
6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
CID 5320779
Pterosin Z
CID 134977
Pterosin N
CID 148710
1,10-Dihydro-1,10-dihydroxyfluoren-9-one
CID 25202226
2-(2,4-Dioxopentan-3-yl)-2-hydroxyindene-1,3-dione
CID 766079
2,2-Dihydroxy-5-methylindene-1,3-dione
CID 69700335
Methyl ninhydrin
CID 69701117

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,3-dimethyl-2H-inden-1-one?
The IUPAC name of 2-hydroxy-3,3-dimethyl-2H-inden-1-one (CID 15090452) is 2-hydroxy-3,3-dimethyl-2H-inden-1-one.
What is the SMILES notation for 2-hydroxy-3,3-dimethyl-2H-inden-1-one?
The canonical SMILES for 2-hydroxy-3,3-dimethyl-2H-inden-1-one is CC1(C)c2ccccc2C(=O)C1O.
What is the InChIKey of 2-hydroxy-3,3-dimethyl-2H-inden-1-one?
The InChIKey is ZYLHGPHDTFANBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-11(2)8-6-4-3-5-7(8)9(12)10(11)13/h3-6,10,13H,1-2H3.
What are the key properties of 2-hydroxy-3,3-dimethyl-2H-inden-1-one?
2-hydroxy-3,3-dimethyl-2H-inden-1-one has a molecular weight of 176.22 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,3-dimethyl-2H-inden-1-one is sourced from PubChem (CID 15090452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).