8-bromo-3,4-dihydro-2H-naphthalen-1-one

C10H9BrO — CID 11345129

IUPAC8-bromo-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cccc(Br)c21
InChIInChI=1S/C10H9BrO/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1,3,5H,2,4,6H2
InChIKeyDIYWCGZFCFYCIE-UHFFFAOYSA-N
MW225.08 g/mol
LogP2.97
Rot. Bonds

About 8-bromo-3,4-dihydro-2H-naphthalen-1-one

8-bromo-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 11345129) has the molecular formula C10H9BrO and a molecular weight of 225.08 g/mol. Its IUPAC name is 8-bromo-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-bromo-3,4-dihydro-2H-naphthalen-1-one
PubChem CID11345129
Molecular FormulaC10H9BrO
Molecular Weight225.08 g/mol
Exact Mass223.98
IUPAC Name8-bromo-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cccc(Br)c21
InChIInChI=1S/C10H9BrO/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1,3,5H,2,4,6H2
InChIKeyDIYWCGZFCFYCIE-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-bromo-3,4-dihydro-2H-naphthalen-1-one (CID 11345129) is 8-bromo-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-bromo-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-bromo-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cccc(Br)c21.
What is the InChIKey of 8-bromo-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is DIYWCGZFCFYCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1,3,5H,2,4,6H2.
What are the key properties of 8-bromo-3,4-dihydro-2H-naphthalen-1-one?
8-bromo-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 225.08 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 11345129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).