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

C9H10O2 — CID 154447900

IUPAC1-hydroxy-1,2,3,4-tetrahydroinden-5-one
SMILESO=C1C=CC2=C(CCC2O)C1
InChIInChI=1S/C9H10O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,9,11H,1,4-5H2
InChIKeyCFJDJRIAHZWGJU-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.97
Rot. Bonds

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

1-hydroxy-1,2,3,4-tetrahydroinden-5-one (PubChem CID 154447900) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-hydroxy-1,2,3,4-tetrahydroinden-5-one.

Molecular Properties

Compound Name1-hydroxy-1,2,3,4-tetrahydroinden-5-one
PubChem CID154447900
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-hydroxy-1,2,3,4-tetrahydroinden-5-one
SMILESO=C1C=CC2=C(CCC2O)C1
InChIInChI=1S/C9H10O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,9,11H,1,4-5H2
InChIKeyCFJDJRIAHZWGJU-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 1-hydroxy-1,2,3,4-tetrahydroinden-5-one?
The IUPAC name of 1-hydroxy-1,2,3,4-tetrahydroinden-5-one (CID 154447900) is 1-hydroxy-1,2,3,4-tetrahydroinden-5-one.
What is the SMILES notation for 1-hydroxy-1,2,3,4-tetrahydroinden-5-one?
The canonical SMILES for 1-hydroxy-1,2,3,4-tetrahydroinden-5-one is O=C1C=CC2=C(CCC2O)C1.
What is the InChIKey of 1-hydroxy-1,2,3,4-tetrahydroinden-5-one?
The InChIKey is CFJDJRIAHZWGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,9,11H,1,4-5H2.
What are the key properties of 1-hydroxy-1,2,3,4-tetrahydroinden-5-one?
1-hydroxy-1,2,3,4-tetrahydroinden-5-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 1-hydroxy-1,2,3,4-tetrahydroinden-5-one is sourced from PubChem (CID 154447900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).