3-hydroxy-2,3,4,5-tetrahydroinden-1-one

C9H10O2 — CID 126728128

IUPAC3-hydroxy-2,3,4,5-tetrahydroinden-1-one
SMILESO=C1CC(O)C2=C1C=CCC2
InChIInChI=1S/C9H10O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1,3,9,11H,2,4-5H2
InChIKeyIJWYBELOSCFEJV-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.97
Rot. Bonds

About 3-hydroxy-2,3,4,5-tetrahydroinden-1-one

3-hydroxy-2,3,4,5-tetrahydroinden-1-one (PubChem CID 126728128) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-hydroxy-2,3,4,5-tetrahydroinden-1-one.

Molecular Properties

Compound Name3-hydroxy-2,3,4,5-tetrahydroinden-1-one
PubChem CID126728128
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3-hydroxy-2,3,4,5-tetrahydroinden-1-one
SMILESO=C1CC(O)C2=C1C=CCC2
InChIInChI=1S/C9H10O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1,3,9,11H,2,4-5H2
InChIKeyIJWYBELOSCFEJV-UHFFFAOYSA-N
XLogP0.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,3,4,5-tetrahydroinden-1-one?
The IUPAC name of 3-hydroxy-2,3,4,5-tetrahydroinden-1-one (CID 126728128) is 3-hydroxy-2,3,4,5-tetrahydroinden-1-one.
What is the SMILES notation for 3-hydroxy-2,3,4,5-tetrahydroinden-1-one?
The canonical SMILES for 3-hydroxy-2,3,4,5-tetrahydroinden-1-one is O=C1CC(O)C2=C1C=CCC2.
What is the InChIKey of 3-hydroxy-2,3,4,5-tetrahydroinden-1-one?
The InChIKey is IJWYBELOSCFEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1,3,9,11H,2,4-5H2.
What are the key properties of 3-hydroxy-2,3,4,5-tetrahydroinden-1-one?
3-hydroxy-2,3,4,5-tetrahydroinden-1-one has a molecular weight of 150.18 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,3,4,5-tetrahydroinden-1-one is sourced from PubChem (CID 126728128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).