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

C9H8O2 — CID 3014017

IUPAC2-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1O
InChIInChI=1S/C9H8O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8,10H,5H2
InChIKeyXEZMWIFCFZCFPJ-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.79
Rot. Bonds

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

2-hydroxy-2,3-dihydroinden-1-one (PubChem CID 3014017) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-hydroxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-hydroxy-2,3-dihydroinden-1-one
PubChem CID3014017
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name2-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1O
InChIInChI=1S/C9H8O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8,10H,5H2
InChIKeyXEZMWIFCFZCFPJ-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,3-dihydroinden-1-one?
The IUPAC name of 2-hydroxy-2,3-dihydroinden-1-one (CID 3014017) is 2-hydroxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-hydroxy-2,3-dihydroinden-1-one?
The canonical SMILES for 2-hydroxy-2,3-dihydroinden-1-one is O=C1c2ccccc2CC1O.
What is the InChIKey of 2-hydroxy-2,3-dihydroinden-1-one?
The InChIKey is XEZMWIFCFZCFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8,10H,5H2.
What are the key properties of 2-hydroxy-2,3-dihydroinden-1-one?
2-hydroxy-2,3-dihydroinden-1-one has a molecular weight of 148.16 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 3014017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).