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

C9H7BrO2 — CID 3718050

IUPAC4-bromo-7-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(Br)ccc(O)c21
InChIInChI=1S/C9H7BrO2/c10-6-2-4-8(12)9-5(6)1-3-7(9)11/h2,4,12H,1,3H2
InChIKeyZTWBCFVYMDBPPD-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.28
Rot. Bonds

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

4-bromo-7-hydroxy-2,3-dihydroinden-1-one (PubChem CID 3718050) has the molecular formula C9H7BrO2 and a molecular weight of 227.06 g/mol. Its IUPAC name is 4-bromo-7-hydroxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-bromo-7-hydroxy-2,3-dihydroinden-1-one
PubChem CID3718050
Molecular FormulaC9H7BrO2
Molecular Weight227.06 g/mol
Exact Mass225.96
IUPAC Name4-bromo-7-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(Br)ccc(O)c21
InChIInChI=1S/C9H7BrO2/c10-6-2-4-8(12)9-5(6)1-3-7(9)11/h2,4,12H,1,3H2
InChIKeyZTWBCFVYMDBPPD-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 4-bromo-7-hydroxy-2,3-dihydroinden-1-one?
The IUPAC name of 4-bromo-7-hydroxy-2,3-dihydroinden-1-one (CID 3718050) is 4-bromo-7-hydroxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-bromo-7-hydroxy-2,3-dihydroinden-1-one?
The canonical SMILES for 4-bromo-7-hydroxy-2,3-dihydroinden-1-one is O=C1CCc2c(Br)ccc(O)c21.
What is the InChIKey of 4-bromo-7-hydroxy-2,3-dihydroinden-1-one?
The InChIKey is ZTWBCFVYMDBPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2/c10-6-2-4-8(12)9-5(6)1-3-7(9)11/h2,4,12H,1,3H2.
What are the key properties of 4-bromo-7-hydroxy-2,3-dihydroinden-1-one?
4-bromo-7-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 4-bromo-7-hydroxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 3718050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).