6-hydroxy-2,3,4,5,6,7-hexahydroinden-1-one

C9H12O2 — CID 163489847

IUPAC6-hydroxy-2,3,4,5,6,7-hexahydroinden-1-one
SMILESO=C1CCC2=C1CC(O)CC2
InChIInChI=1S/C9H12O2/c10-7-3-1-6-2-4-9(11)8(6)5-7/h7,10H,1-5H2
InChIKeyCLQUVDUHZGRAFS-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.19
Rot. Bonds

About 6-hydroxy-2,3,4,5,6,7-hexahydroinden-1-one

6-hydroxy-2,3,4,5,6,7-hexahydroinden-1-one (PubChem CID 163489847) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 6-hydroxy-2,3,4,5,6,7-hexahydroinden-1-one.

Molecular Properties

Compound Name6-hydroxy-2,3,4,5,6,7-hexahydroinden-1-one
PubChem CID163489847
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name6-hydroxy-2,3,4,5,6,7-hexahydroinden-1-one
SMILESO=C1CCC2=C1CC(O)CC2
InChIInChI=1S/C9H12O2/c10-7-3-1-6-2-4-9(11)8(6)5-7/h7,10H,1-5H2
InChIKeyCLQUVDUHZGRAFS-UHFFFAOYSA-N
XLogP1.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,3,4,5,6,7-hexahydroinden-1-one?
The IUPAC name of 6-hydroxy-2,3,4,5,6,7-hexahydroinden-1-one (CID 163489847) is 6-hydroxy-2,3,4,5,6,7-hexahydroinden-1-one.
What is the SMILES notation for 6-hydroxy-2,3,4,5,6,7-hexahydroinden-1-one?
The canonical SMILES for 6-hydroxy-2,3,4,5,6,7-hexahydroinden-1-one is O=C1CCC2=C1CC(O)CC2.
What is the InChIKey of 6-hydroxy-2,3,4,5,6,7-hexahydroinden-1-one?
The InChIKey is CLQUVDUHZGRAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-7-3-1-6-2-4-9(11)8(6)5-7/h7,10H,1-5H2.
What are the key properties of 6-hydroxy-2,3,4,5,6,7-hexahydroinden-1-one?
6-hydroxy-2,3,4,5,6,7-hexahydroinden-1-one has a molecular weight of 152.19 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,3,4,5,6,7-hexahydroinden-1-one is sourced from PubChem (CID 163489847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).