5-bromo-7-methoxy-2,3-dihydroinden-1-one

C10H9BrO2 — CID 58950984

IUPAC5-bromo-7-methoxy-2,3-dihydroinden-1-one
SMILESCOc1cc(Br)cc2c1C(=O)CC2
InChIInChI=1S/C10H9BrO2/c1-13-9-5-7(11)4-6-2-3-8(12)10(6)9/h4-5H,2-3H2,1H3
InChIKeyLWUXXRGOGYBNHJ-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.59
Rot. Bonds1

About 5-bromo-7-methoxy-2,3-dihydroinden-1-one

5-bromo-7-methoxy-2,3-dihydroinden-1-one (PubChem CID 58950984) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 5-bromo-7-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-bromo-7-methoxy-2,3-dihydroinden-1-one
PubChem CID58950984
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name5-bromo-7-methoxy-2,3-dihydroinden-1-one
SMILESCOc1cc(Br)cc2c1C(=O)CC2
InChIInChI=1S/C10H9BrO2/c1-13-9-5-7(11)4-6-2-3-8(12)10(6)9/h4-5H,2-3H2,1H3
InChIKeyLWUXXRGOGYBNHJ-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 5-bromo-7-methoxy-2,3-dihydroinden-1-one (CID 58950984) is 5-bromo-7-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-bromo-7-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 5-bromo-7-methoxy-2,3-dihydroinden-1-one is COc1cc(Br)cc2c1C(=O)CC2.
What is the InChIKey of 5-bromo-7-methoxy-2,3-dihydroinden-1-one?
The InChIKey is LWUXXRGOGYBNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c1-13-9-5-7(11)4-6-2-3-8(12)10(6)9/h4-5H,2-3H2,1H3.
What are the key properties of 5-bromo-7-methoxy-2,3-dihydroinden-1-one?
5-bromo-7-methoxy-2,3-dihydroinden-1-one has a molecular weight of 241.08 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 58950984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).