cyclopentyl-(3,5-dibromophenyl)methanone

C12H12Br2O — CID 107976355

IUPACcyclopentyl-(3,5-dibromophenyl)methanone
SMILESO=C(c1cc(Br)cc(Br)c1)C1CCCC1
InChIInChI=1S/C12H12Br2O/c13-10-5-9(6-11(14)7-10)12(15)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyIYUMQTMJHJPNPG-UHFFFAOYSA-N
MW332.04 g/mol
LogP4.58
Rot. Bonds2

About cyclopentyl-(3,5-dibromophenyl)methanone

cyclopentyl-(3,5-dibromophenyl)methanone (PubChem CID 107976355) has the molecular formula C12H12Br2O and a molecular weight of 332.04 g/mol. Its IUPAC name is cyclopentyl-(3,5-dibromophenyl)methanone.

Molecular Properties

Compound Namecyclopentyl-(3,5-dibromophenyl)methanone
PubChem CID107976355
Molecular FormulaC12H12Br2O
Molecular Weight332.04 g/mol
Exact Mass329.93
IUPAC Namecyclopentyl-(3,5-dibromophenyl)methanone
SMILESO=C(c1cc(Br)cc(Br)c1)C1CCCC1
InChIInChI=1S/C12H12Br2O/c13-10-5-9(6-11(14)7-10)12(15)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyIYUMQTMJHJPNPG-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.04
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl-(3,5-dibromophenyl)methanone
CID 107976980
(4-bromophenyl)-cycloheptylmethanone
CID 63492666
(4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone
CID 114329532
(4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone
CID 114329540
cyclohexyl-(3,5-difluorophenyl)methanone
CID 24724213
(5-bromothiophen-3-yl)-cyclohexylmethanone
CID 105076809
(3-bromo-4-hydroxyphenyl)-cyclopentylmethanone
CID 12943328
cyclobutyl-(3,5-dimethylphenyl)methanone
CID 24724134
(3-bromo-4-methylphenyl)-cyclopentylmethanone
CID 82122935
cyclopentyl-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65298882
[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanone
CID 90020499
(3-amino-5-bromophenyl)-(oxolan-3-yl)methanone
CID 116597079

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(3,5-dibromophenyl)methanone?
The IUPAC name of cyclopentyl-(3,5-dibromophenyl)methanone (CID 107976355) is cyclopentyl-(3,5-dibromophenyl)methanone.
What is the SMILES notation for cyclopentyl-(3,5-dibromophenyl)methanone?
The canonical SMILES for cyclopentyl-(3,5-dibromophenyl)methanone is O=C(c1cc(Br)cc(Br)c1)C1CCCC1.
What is the InChIKey of cyclopentyl-(3,5-dibromophenyl)methanone?
The InChIKey is IYUMQTMJHJPNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2O/c13-10-5-9(6-11(14)7-10)12(15)8-3-1-2-4-8/h5-8H,1-4H2.
What are the key properties of cyclopentyl-(3,5-dibromophenyl)methanone?
cyclopentyl-(3,5-dibromophenyl)methanone has a molecular weight of 332.04 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(3,5-dibromophenyl)methanone is sourced from PubChem (CID 107976355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).