6-hydroxy-2,3-dihydroinden-1-one

C9H8O2 — CID 7020659

IUPAC6-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(O)cc21
InChIInChI=1S/C9H8O2/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,10H,2,4H2
InChIKeyMOANRQDXNNXOLW-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.52
Rot. Bonds

About 6-hydroxy-2,3-dihydroinden-1-one

6-hydroxy-2,3-dihydroinden-1-one (PubChem CID 7020659) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 6-hydroxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-hydroxy-2,3-dihydroinden-1-one
PubChem CID7020659
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name6-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(O)cc21
InChIInChI=1S/C9H8O2/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,10H,2,4H2
InChIKeyMOANRQDXNNXOLW-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.52
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-dihydroinden-1-one?
The IUPAC name of 6-hydroxy-2,3-dihydroinden-1-one (CID 7020659) is 6-hydroxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-hydroxy-2,3-dihydroinden-1-one?
The canonical SMILES for 6-hydroxy-2,3-dihydroinden-1-one is O=C1CCc2ccc(O)cc21.
What is the InChIKey of 6-hydroxy-2,3-dihydroinden-1-one?
The InChIKey is MOANRQDXNNXOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,10H,2,4H2.
What are the key properties of 6-hydroxy-2,3-dihydroinden-1-one?
6-hydroxy-2,3-dihydroinden-1-one has a molecular weight of 148.16 g/mol, XLogP of 1.52, 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-dihydroinden-1-one is sourced from PubChem (CID 7020659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).