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

C10H9BrO — CID 3691574

IUPAC7-bromo-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2ccc(Br)cc2C1
InChIInChI=1S/C10H9BrO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5H,2,4,6H2
InChIKeyNCTYMQMYDHAKCE-UHFFFAOYSA-N
MW225.08 g/mol
LogP2.51
Rot. Bonds

About 7-bromo-3,4-dihydro-1H-naphthalen-2-one

7-bromo-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 3691574) has the molecular formula C10H9BrO and a molecular weight of 225.08 g/mol. Its IUPAC name is 7-bromo-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name7-bromo-3,4-dihydro-1H-naphthalen-2-one
PubChem CID3691574
Molecular FormulaC10H9BrO
Molecular Weight225.08 g/mol
Exact Mass223.98
IUPAC Name7-bromo-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2ccc(Br)cc2C1
InChIInChI=1S/C10H9BrO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5H,2,4,6H2
InChIKeyNCTYMQMYDHAKCE-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 7-bromo-3,4-dihydro-1H-naphthalen-2-one (CID 3691574) is 7-bromo-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 7-bromo-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 7-bromo-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2ccc(Br)cc2C1.
What is the InChIKey of 7-bromo-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is NCTYMQMYDHAKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5H,2,4,6H2.
What are the key properties of 7-bromo-3,4-dihydro-1H-naphthalen-2-one?
7-bromo-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 225.08 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 3691574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).