6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one

C14H18O2 — CID 5320780

IUPAC6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
SMILESCc1cc2c(c(C)c1CCO)C(=O)C(C)C2
InChIInChI=1S/C14H18O2/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9,15H,4-5,7H2,1-3H3
InChIKeySJNCSXMTBXDZQA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.21
Rot. Bonds2

About 6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one

6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one (PubChem CID 5320780) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
PubChem CID5320780
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
SMILESCc1cc2c(c(C)c1CCO)C(=O)C(C)C2
InChIInChI=1S/C14H18O2/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9,15H,4-5,7H2,1-3H3
InChIKeySJNCSXMTBXDZQA-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one?
The IUPAC name of 6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one (CID 5320780) is 6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one?
The canonical SMILES for 6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one is Cc1cc2c(c(C)c1CCO)C(=O)C(C)C2.
What is the InChIKey of 6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one?
The InChIKey is SJNCSXMTBXDZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9,15H,4-5,7H2,1-3H3.
What are the key properties of 6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one?
6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one has a molecular weight of 218.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 5320780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).