1-(7-bromonaphthalen-2-yl)ethanone

C12H9BrO — CID 68758171

IUPAC1-(7-bromonaphthalen-2-yl)ethanone
SMILESCC(=O)c1ccc2ccc(Br)cc2c1
InChIInChI=1S/C12H9BrO/c1-8(14)10-3-2-9-4-5-12(13)7-11(9)6-10/h2-7H,1H3
InChIKeyGXGCJJNCNLLFLX-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.80
Rot. Bonds1

About 1-(7-bromonaphthalen-2-yl)ethanone

1-(7-bromonaphthalen-2-yl)ethanone (PubChem CID 68758171) has the molecular formula C12H9BrO and a molecular weight of 249.11 g/mol. Its IUPAC name is 1-(7-bromonaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-bromonaphthalen-2-yl)ethanone
PubChem CID68758171
Molecular FormulaC12H9BrO
Molecular Weight249.11 g/mol
Exact Mass247.98
IUPAC Name1-(7-bromonaphthalen-2-yl)ethanone
SMILESCC(=O)c1ccc2ccc(Br)cc2c1
InChIInChI=1S/C12H9BrO/c1-8(14)10-3-2-9-4-5-12(13)7-11(9)6-10/h2-7H,1H3
InChIKeyGXGCJJNCNLLFLX-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
N-acetyl-6-bromonaphthalene-2-carboxamide
CID 115353964
1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one
CID 114962080
benzene;1-(4-bromophenyl)ethanone
CID 174710467
1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one
CID 14452955
1-bromo-4-[(E)-3-(4-bromophenyl)but-2-en-2-yl]benzene;1-(4-bromophenyl)ethanone
CID 157172690
CID 88938269
CID 88938269
1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone
CID 21406748
1-(4-bromophenyl)ethanone;butane
CID 69403420
1-(2-bromo-1-benzofuran-6-yl)ethanone
CID 83898344
1-(6-tert-butylnaphthalen-2-yl)ethanone
CID 59199741
3-(6-bromonaphthalen-2-yl)-2-methyl-3-oxopropanenitrile
CID 115354060

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromonaphthalen-2-yl)ethanone?
The IUPAC name of 1-(7-bromonaphthalen-2-yl)ethanone (CID 68758171) is 1-(7-bromonaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(7-bromonaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(7-bromonaphthalen-2-yl)ethanone is CC(=O)c1ccc2ccc(Br)cc2c1.
What is the InChIKey of 1-(7-bromonaphthalen-2-yl)ethanone?
The InChIKey is GXGCJJNCNLLFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO/c1-8(14)10-3-2-9-4-5-12(13)7-11(9)6-10/h2-7H,1H3.
What are the key properties of 1-(7-bromonaphthalen-2-yl)ethanone?
1-(7-bromonaphthalen-2-yl)ethanone has a molecular weight of 249.11 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromonaphthalen-2-yl)ethanone is sourced from PubChem (CID 68758171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).