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

C9H8O2 — CID 14914690

IUPAC1-hydroxy-1,3-dihydroinden-2-one
SMILESO=C1Cc2ccccc2C1O
InChIInChI=1S/C9H8O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,9,11H,5H2
InChIKeyZDTXQJPNLCLHNB-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.85
Rot. Bonds

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

1-hydroxy-1,3-dihydroinden-2-one (PubChem CID 14914690) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1-hydroxy-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name1-hydroxy-1,3-dihydroinden-2-one
PubChem CID14914690
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name1-hydroxy-1,3-dihydroinden-2-one
SMILESO=C1Cc2ccccc2C1O
InChIInChI=1S/C9H8O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,9,11H,5H2
InChIKeyZDTXQJPNLCLHNB-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1,3-dihydroinden-2-one?
The IUPAC name of 1-hydroxy-1,3-dihydroinden-2-one (CID 14914690) is 1-hydroxy-1,3-dihydroinden-2-one.
What is the SMILES notation for 1-hydroxy-1,3-dihydroinden-2-one?
The canonical SMILES for 1-hydroxy-1,3-dihydroinden-2-one is O=C1Cc2ccccc2C1O.
What is the InChIKey of 1-hydroxy-1,3-dihydroinden-2-one?
The InChIKey is ZDTXQJPNLCLHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,9,11H,5H2.
What are the key properties of 1-hydroxy-1,3-dihydroinden-2-one?
1-hydroxy-1,3-dihydroinden-2-one has a molecular weight of 148.16 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,3-dihydroinden-2-one is sourced from PubChem (CID 14914690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).