1-(2-bromophenyl)-2-cyclopropylpropan-1-one

C12H13BrO — CID 101490237

IUPAC1-(2-bromophenyl)-2-cyclopropylpropan-1-one
SMILESCC(C(=O)c1ccccc1Br)C1CC1
InChIInChI=1S/C12H13BrO/c1-8(9-6-7-9)12(14)10-4-2-3-5-11(10)13/h2-5,8-9H,6-7H2,1H3
InChIKeyGGGYQBHRHPOVRV-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.68
Rot. Bonds3

About 1-(2-bromophenyl)-2-cyclopropylpropan-1-one

1-(2-bromophenyl)-2-cyclopropylpropan-1-one (PubChem CID 101490237) has the molecular formula C12H13BrO and a molecular weight of 253.14 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-cyclopropylpropan-1-one
PubChem CID101490237
Molecular FormulaC12H13BrO
Molecular Weight253.14 g/mol
Exact Mass252.01
IUPAC Name1-(2-bromophenyl)-2-cyclopropylpropan-1-one
SMILESCC(C(=O)c1ccccc1Br)C1CC1
InChIInChI=1S/C12H13BrO/c1-8(9-6-7-9)12(14)10-4-2-3-5-11(10)13/h2-5,8-9H,6-7H2,1H3
InChIKeyGGGYQBHRHPOVRV-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-bromophenyl)-2-methylpentan-1-one
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2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
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CID 67873213
2-cycloheptyl-1-phenylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-cyclopropylpropan-1-one?
The IUPAC name of 1-(2-bromophenyl)-2-cyclopropylpropan-1-one (CID 101490237) is 1-(2-bromophenyl)-2-cyclopropylpropan-1-one.
What is the SMILES notation for 1-(2-bromophenyl)-2-cyclopropylpropan-1-one?
The canonical SMILES for 1-(2-bromophenyl)-2-cyclopropylpropan-1-one is CC(C(=O)c1ccccc1Br)C1CC1.
What is the InChIKey of 1-(2-bromophenyl)-2-cyclopropylpropan-1-one?
The InChIKey is GGGYQBHRHPOVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO/c1-8(9-6-7-9)12(14)10-4-2-3-5-11(10)13/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-cyclopropylpropan-1-one?
1-(2-bromophenyl)-2-cyclopropylpropan-1-one has a molecular weight of 253.14 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-cyclopropylpropan-1-one is sourced from PubChem (CID 101490237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).