(3R)-3-hydroxy-2,3-dihydroinden-1-one

C9H8O2 — CID 10820702

IUPAC(3R)-3-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1C[C@@H](O)c2ccccc21
InChIInChI=1S/C9H8O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4,8,10H,5H2/t8-/m1/s1
InChIKeyUOBZGMJWBBQSLX-MRVPVSSYSA-N
MW148.16 g/mol
LogP1.31
Rot. Bonds

About (3R)-3-hydroxy-2,3-dihydroinden-1-one

(3R)-3-hydroxy-2,3-dihydroinden-1-one (PubChem CID 10820702) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is (3R)-3-hydroxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-2,3-dihydroinden-1-one
PubChem CID10820702
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name(3R)-3-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1C[C@@H](O)c2ccccc21
InChIInChI=1S/C9H8O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4,8,10H,5H2/t8-/m1/s1
InChIKeyUOBZGMJWBBQSLX-MRVPVSSYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-2,3-dihydroinden-1-one?
The IUPAC name of (3R)-3-hydroxy-2,3-dihydroinden-1-one (CID 10820702) is (3R)-3-hydroxy-2,3-dihydroinden-1-one.
What is the SMILES notation for (3R)-3-hydroxy-2,3-dihydroinden-1-one?
The canonical SMILES for (3R)-3-hydroxy-2,3-dihydroinden-1-one is O=C1C[C@@H](O)c2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-2,3-dihydroinden-1-one?
The InChIKey is UOBZGMJWBBQSLX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4,8,10H,5H2/t8-/m1/s1.
What are the key properties of (3R)-3-hydroxy-2,3-dihydroinden-1-one?
(3R)-3-hydroxy-2,3-dihydroinden-1-one has a molecular weight of 148.16 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 10820702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).