1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one

C13H15BrO2 — CID 114978342

IUPAC1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one
SMILESCOc1cc(Br)ccc1C(=O)CCC1CC1
InChIInChI=1S/C13H15BrO2/c1-16-13-8-10(14)5-6-11(13)12(15)7-4-9-2-3-9/h5-6,8-9H,2-4,7H2,1H3
InChIKeyJXGWBTIWDZYNKL-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.83
Rot. Bonds5

About 1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one

1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one (PubChem CID 114978342) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one
PubChem CID114978342
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one
SMILESCOc1cc(Br)ccc1C(=O)CCC1CC1
InChIInChI=1S/C13H15BrO2/c1-16-13-8-10(14)5-6-11(13)12(15)7-4-9-2-3-9/h5-6,8-9H,2-4,7H2,1H3
InChIKeyJXGWBTIWDZYNKL-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one
CID 43339908
3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one
CID 114978303
1-(4-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974372
3-[(3S)-1-(4-bromo-2-methoxybenzoyl)piperidin-3-yl]propanoic acid
CID 124684718
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide
CID 78956600
1-(3-bromo-2,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-1-one
CID 103524254
4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 115369278
1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one
CID 114978147
1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one
CID 115784576
1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 115369376
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 114963290
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63951721

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one (CID 114978342) is 1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one is COc1cc(Br)ccc1C(=O)CCC1CC1.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one?
The InChIKey is JXGWBTIWDZYNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-16-13-8-10(14)5-6-11(13)12(15)7-4-9-2-3-9/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one?
1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one has a molecular weight of 283.16 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one is sourced from PubChem (CID 114978342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).