7-bromo-4-hydroxy-2,3-dihydroinden-1-one

C9H7BrO2 — CID 20545961

IUPAC7-bromo-4-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(O)ccc(Br)c21
InChIInChI=1S/C9H7BrO2/c10-6-2-4-7(11)5-1-3-8(12)9(5)6/h2,4,11H,1,3H2
InChIKeyRUUDIHNJAIWYIR-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.28
Rot. Bonds

About 7-bromo-4-hydroxy-2,3-dihydroinden-1-one

7-bromo-4-hydroxy-2,3-dihydroinden-1-one (PubChem CID 20545961) has the molecular formula C9H7BrO2 and a molecular weight of 227.06 g/mol. Its IUPAC name is 7-bromo-4-hydroxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-bromo-4-hydroxy-2,3-dihydroinden-1-one
PubChem CID20545961
Molecular FormulaC9H7BrO2
Molecular Weight227.06 g/mol
Exact Mass225.96
IUPAC Name7-bromo-4-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(O)ccc(Br)c21
InChIInChI=1S/C9H7BrO2/c10-6-2-4-7(11)5-1-3-8(12)9(5)6/h2,4,11H,1,3H2
InChIKeyRUUDIHNJAIWYIR-UHFFFAOYSA-N
XLogP2.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-hydroxy-2,3-dihydroinden-1-one?
The IUPAC name of 7-bromo-4-hydroxy-2,3-dihydroinden-1-one (CID 20545961) is 7-bromo-4-hydroxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-bromo-4-hydroxy-2,3-dihydroinden-1-one?
The canonical SMILES for 7-bromo-4-hydroxy-2,3-dihydroinden-1-one is O=C1CCc2c(O)ccc(Br)c21.
What is the InChIKey of 7-bromo-4-hydroxy-2,3-dihydroinden-1-one?
The InChIKey is RUUDIHNJAIWYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2/c10-6-2-4-7(11)5-1-3-8(12)9(5)6/h2,4,11H,1,3H2.
What are the key properties of 7-bromo-4-hydroxy-2,3-dihydroinden-1-one?
7-bromo-4-hydroxy-2,3-dihydroinden-1-one has a molecular weight of 227.06 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-hydroxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 20545961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).