5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one

C15H20O2 — CID 10728290

IUPAC5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one
SMILESCc1cc2c(c(C)c1CCO)CC(C)(C)C2=O
InChIInChI=1S/C15H20O2/c1-9-7-12-13(8-15(3,4)14(12)17)10(2)11(9)5-6-16/h7,16H,5-6,8H2,1-4H3
InChIKeyNUFTYHHRGFEVPH-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.60
Rot. Bonds2

About 5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one

5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one (PubChem CID 10728290) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one
PubChem CID10728290
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one
SMILESCc1cc2c(c(C)c1CCO)CC(C)(C)C2=O
InChIInChI=1S/C15H20O2/c1-9-7-12-13(8-15(3,4)14(12)17)10(2)11(9)5-6-16/h7,16H,5-6,8H2,1-4H3
InChIKeyNUFTYHHRGFEVPH-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one?
The IUPAC name of 5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one (CID 10728290) is 5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one is Cc1cc2c(c(C)c1CCO)CC(C)(C)C2=O.
What is the InChIKey of 5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one?
The InChIKey is NUFTYHHRGFEVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-7-12-13(8-15(3,4)14(12)17)10(2)11(9)5-6-16/h7,16H,5-6,8H2,1-4H3.
What are the key properties of 5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one?
5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one has a molecular weight of 232.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one is sourced from PubChem (CID 10728290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).