(2S,3R)-6-(2-hydroxyethyl)-2,3,5,7-tetramethyl-2,3-dihydroinden-1-one

C15H20O2 — CID 170989600

IUPAC(2S,3R)-6-(2-hydroxyethyl)-2,3,5,7-tetramethyl-2,3-dihydroinden-1-one
SMILESCc1cc2c(c(C)c1CCO)C(=O)[C@@H](C)[C@H]2C
InChIInChI=1S/C15H20O2/c1-8-7-13-9(2)10(3)15(17)14(13)11(4)12(8)5-6-16/h7,9-10,16H,5-6H2,1-4H3/t9-,10+/m1/s1
InChIKeyDWRCCLKYUXVCEU-ZJUUUORDSA-N
MW232.32 g/mol
LogP2.77
Rot. Bonds2

About (2S,3R)-6-(2-hydroxyethyl)-2,3,5,7-tetramethyl-2,3-dihydroinden-1-one

(2S,3R)-6-(2-hydroxyethyl)-2,3,5,7-tetramethyl-2,3-dihydroinden-1-one (PubChem CID 170989600) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2S,3R)-6-(2-hydroxyethyl)-2,3,5,7-tetramethyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2S,3R)-6-(2-hydroxyethyl)-2,3,5,7-tetramethyl-2,3-dihydroinden-1-one
PubChem CID170989600
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(2S,3R)-6-(2-hydroxyethyl)-2,3,5,7-tetramethyl-2,3-dihydroinden-1-one
SMILESCc1cc2c(c(C)c1CCO)C(=O)[C@@H](C)[C@H]2C
InChIInChI=1S/C15H20O2/c1-8-7-13-9(2)10(3)15(17)14(13)11(4)12(8)5-6-16/h7,9-10,16H,5-6H2,1-4H3/t9-,10+/m1/s1
InChIKeyDWRCCLKYUXVCEU-ZJUUUORDSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-6-(2-hydroxyethyl)-2,3,5,7-tetramethyl-2,3-dihydroinden-1-one?
The IUPAC name of (2S,3R)-6-(2-hydroxyethyl)-2,3,5,7-tetramethyl-2,3-dihydroinden-1-one (CID 170989600) is (2S,3R)-6-(2-hydroxyethyl)-2,3,5,7-tetramethyl-2,3-dihydroinden-1-one.
What is the SMILES notation for (2S,3R)-6-(2-hydroxyethyl)-2,3,5,7-tetramethyl-2,3-dihydroinden-1-one?
The canonical SMILES for (2S,3R)-6-(2-hydroxyethyl)-2,3,5,7-tetramethyl-2,3-dihydroinden-1-one is Cc1cc2c(c(C)c1CCO)C(=O)[C@@H](C)[C@H]2C.
What is the InChIKey of (2S,3R)-6-(2-hydroxyethyl)-2,3,5,7-tetramethyl-2,3-dihydroinden-1-one?
The InChIKey is DWRCCLKYUXVCEU-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H20O2/c1-8-7-13-9(2)10(3)15(17)14(13)11(4)12(8)5-6-16/h7,9-10,16H,5-6H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-6-(2-hydroxyethyl)-2,3,5,7-tetramethyl-2,3-dihydroinden-1-one?
(2S,3R)-6-(2-hydroxyethyl)-2,3,5,7-tetramethyl-2,3-dihydroinden-1-one has a molecular weight of 232.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-6-(2-hydroxyethyl)-2,3,5,7-tetramethyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 170989600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).