1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one

C15H20O2 — CID 90932292

IUPAC1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one
SMILESCC(=O)CC1(O)c2cc(C)ccc2CC1(C)C
InChIInChI=1S/C15H20O2/c1-10-5-6-12-9-14(3,4)15(17,8-11(2)16)13(12)7-10/h5-7,17H,8-9H2,1-4H3
InChIKeyZJFOCFQMYVXCSC-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.74
Rot. Bonds2

About 1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one

1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one (PubChem CID 90932292) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one
PubChem CID90932292
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one
SMILESCC(=O)CC1(O)c2cc(C)ccc2CC1(C)C
InChIInChI=1S/C15H20O2/c1-10-5-6-12-9-14(3,4)15(17,8-11(2)16)13(12)7-10/h5-7,17H,8-9H2,1-4H3
InChIKeyZJFOCFQMYVXCSC-UHFFFAOYSA-N
XLogP2.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one?
The IUPAC name of 1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one (CID 90932292) is 1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one.
What is the SMILES notation for 1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one?
The canonical SMILES for 1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one is CC(=O)CC1(O)c2cc(C)ccc2CC1(C)C.
What is the InChIKey of 1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one?
The InChIKey is ZJFOCFQMYVXCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-5-6-12-9-14(3,4)15(17,8-11(2)16)13(12)7-10/h5-7,17H,8-9H2,1-4H3.
What are the key properties of 1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one?
1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one has a molecular weight of 232.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2,2,6-trimethyl-3H-inden-1-yl)propan-2-one is sourced from PubChem (CID 90932292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).