1-[3-(2-hydroxyethyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]ethanol

C14H26O2 — CID 167247206

IUPAC1-[3-(2-hydroxyethyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]ethanol
SMILESCC(O)C1CC2C(CCO)CCC2CC1C
InChIInChI=1S/C14H26O2/c1-9-7-12-4-3-11(5-6-15)14(12)8-13(9)10(2)16/h9-16H,3-8H2,1-2H3
InChIKeyGVLONKGBOBZLLS-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.44
Rot. Bonds3

About 1-[3-(2-hydroxyethyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]ethanol

1-[3-(2-hydroxyethyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]ethanol (PubChem CID 167247206) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]ethanol
PubChem CID167247206
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-[3-(2-hydroxyethyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]ethanol
SMILESCC(O)C1CC2C(CCO)CCC2CC1C
InChIInChI=1S/C14H26O2/c1-9-7-12-4-3-11(5-6-15)14(12)8-13(9)10(2)16/h9-16H,3-8H2,1-2H3
InChIKeyGVLONKGBOBZLLS-UHFFFAOYSA-N
XLogP2.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]ethanol?
The IUPAC name of 1-[3-(2-hydroxyethyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]ethanol (CID 167247206) is 1-[3-(2-hydroxyethyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]ethanol.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]ethanol?
The canonical SMILES for 1-[3-(2-hydroxyethyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]ethanol is CC(O)C1CC2C(CCO)CCC2CC1C.
What is the InChIKey of 1-[3-(2-hydroxyethyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]ethanol?
The InChIKey is GVLONKGBOBZLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-9-7-12-4-3-11(5-6-15)14(12)8-13(9)10(2)16/h9-16H,3-8H2,1-2H3.
What are the key properties of 1-[3-(2-hydroxyethyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]ethanol?
1-[3-(2-hydroxyethyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]ethanol has a molecular weight of 226.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]ethanol is sourced from PubChem (CID 167247206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).