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

C10H9BrO — CID 10889572

IUPAC5-bromo-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(Br)cccc21
InChIInChI=1S/C10H9BrO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1,4-5H,2-3,6H2
InChIKeyDMXOUYZZHVHEQR-UHFFFAOYSA-N
MW225.08 g/mol
LogP2.97
Rot. Bonds

About 5-bromo-3,4-dihydro-2H-naphthalen-1-one

5-bromo-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10889572) has the molecular formula C10H9BrO and a molecular weight of 225.08 g/mol. Its IUPAC name is 5-bromo-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-bromo-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10889572
Molecular FormulaC10H9BrO
Molecular Weight225.08 g/mol
Exact Mass223.98
IUPAC Name5-bromo-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(Br)cccc21
InChIInChI=1S/C10H9BrO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1,4-5H,2-3,6H2
InChIKeyDMXOUYZZHVHEQR-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

Analyze 5-bromo-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-bromo-3,4-dihydro-2H-naphthalen-1-one (CID 10889572) is 5-bromo-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-bromo-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-bromo-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c(Br)cccc21.
What is the InChIKey of 5-bromo-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is DMXOUYZZHVHEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1,4-5H,2-3,6H2.
What are the key properties of 5-bromo-3,4-dihydro-2H-naphthalen-1-one?
5-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 5-bromo-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10889572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).