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

C15H20O3 — CID 20980694

IUPAC7-hydroxy-5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one
SMILESCc1c(O)c2c(c(C)c1CCO)CC(C)(C)C2=O
InChIInChI=1S/C15H20O3/c1-8-10(5-6-16)9(2)13(17)12-11(8)7-15(3,4)14(12)18/h16-17H,5-7H2,1-4H3
InChIKeySLWYAMJBUADQJK-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.31
Rot. Bonds2

About 7-hydroxy-5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one

7-hydroxy-5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one (PubChem CID 20980694) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 7-hydroxy-5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one.

Molecular Properties

Compound Name7-hydroxy-5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one
PubChem CID20980694
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name7-hydroxy-5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one
SMILESCc1c(O)c2c(c(C)c1CCO)CC(C)(C)C2=O
InChIInChI=1S/C15H20O3/c1-8-10(5-6-16)9(2)13(17)12-11(8)7-15(3,4)14(12)18/h16-17H,5-7H2,1-4H3
InChIKeySLWYAMJBUADQJK-UHFFFAOYSA-N
XLogP2.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one?
The IUPAC name of 7-hydroxy-5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one (CID 20980694) is 7-hydroxy-5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one.
What is the SMILES notation for 7-hydroxy-5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one?
The canonical SMILES for 7-hydroxy-5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one is Cc1c(O)c2c(c(C)c1CCO)CC(C)(C)C2=O.
What is the InChIKey of 7-hydroxy-5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one?
The InChIKey is SLWYAMJBUADQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-8-10(5-6-16)9(2)13(17)12-11(8)7-15(3,4)14(12)18/h16-17H,5-7H2,1-4H3.
What are the key properties of 7-hydroxy-5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one?
7-hydroxy-5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one has a molecular weight of 248.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one is sourced from PubChem (CID 20980694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).