3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one

C12H12Br2O — CID 114978303

IUPAC3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one
SMILESO=C(CCC1CC1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H12Br2O/c13-9-4-5-11(14)10(7-9)12(15)6-3-8-1-2-8/h4-5,7-8H,1-3,6H2
InChIKeyRCUWWZLMVVKJNJ-UHFFFAOYSA-N
MW332.04 g/mol
LogP4.58
Rot. Bonds4

About 3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one

3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one (PubChem CID 114978303) has the molecular formula C12H12Br2O and a molecular weight of 332.04 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one
PubChem CID114978303
Molecular FormulaC12H12Br2O
Molecular Weight332.04 g/mol
Exact Mass329.93
IUPAC Name3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one
SMILESO=C(CCC1CC1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H12Br2O/c13-9-4-5-11(14)10(7-9)12(15)6-3-8-1-2-8/h4-5,7-8H,1-3,6H2
InChIKeyRCUWWZLMVVKJNJ-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one
CID 115784576
1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one
CID 114978342
1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one
CID 114978147
1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one
CID 43339908
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one
CID 114978332
2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide
CID 114372404
(2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone
CID 114975946
1-(2,5-dibromophenyl)-4-phenylbutan-1-one
CID 114969935
1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one
CID 106865007
1-(2,5-dibromophenyl)-3-methylbut-3-en-1-one
CID 115780571
1-(5-amino-2-bromophenyl)-2-cyclopentylethanone
CID 116602873

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one?
The IUPAC name of 3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one (CID 114978303) is 3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one?
The canonical SMILES for 3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one is O=C(CCC1CC1)c1cc(Br)ccc1Br.
What is the InChIKey of 3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one?
The InChIKey is RCUWWZLMVVKJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2O/c13-9-4-5-11(14)10(7-9)12(15)6-3-8-1-2-8/h4-5,7-8H,1-3,6H2.
What are the key properties of 3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one?
3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one has a molecular weight of 332.04 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one is sourced from PubChem (CID 114978303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).