1-(3-bromophenyl)-2-cyclopentylethanone

C13H15BrO — CID 62620769

IUPAC1-(3-bromophenyl)-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C13H15BrO/c14-12-7-3-6-11(9-12)13(15)8-10-4-1-2-5-10/h3,6-7,9-10H,1-2,4-5,8H2
InChIKeyXBQBTZCQGZOHIL-UHFFFAOYSA-N
MW267.17 g/mol
LogP4.21
Rot. Bonds3

About 1-(3-bromophenyl)-2-cyclopentylethanone

1-(3-bromophenyl)-2-cyclopentylethanone (PubChem CID 62620769) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-cyclopentylethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-cyclopentylethanone
PubChem CID62620769
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name1-(3-bromophenyl)-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C13H15BrO/c14-12-7-3-6-11(9-12)13(15)8-10-4-1-2-5-10/h3,6-7,9-10H,1-2,4-5,8H2
InChIKeyXBQBTZCQGZOHIL-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-2-(thian-4-yl)ethanone
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1-(3-bromophenyl)-2-(3,3-difluorocyclohexyl)ethanone
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1-(3-bromophenyl)-2-(cyclopentylmethylsulfanyl)ethanone
CID 63119723
1-(3-bromophenyl)-2-(cyclopentylmethylsulfinyl)ethanone
CID 64640185
1-(3-bromophenyl)-2-cyclohexylsulfanylethanone
CID 60645355
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
1-(3-bromophenyl)-2-cyclopentylsulfinylethanone
CID 64639173
3-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524561
[2-(3-bromophenyl)-2-oxoethyl] 3-cyclopentylpropanoate
CID 23733164
1-(4-bromophenyl)-2-cyclobutylethanone
CID 65458564
1-(3-bromophenyl)-2-cyclohexylsulfinylethanone
CID 64639949
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CID 160549823

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-cyclopentylethanone?
The IUPAC name of 1-(3-bromophenyl)-2-cyclopentylethanone (CID 62620769) is 1-(3-bromophenyl)-2-cyclopentylethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-cyclopentylethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-cyclopentylethanone is O=C(CC1CCCC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-cyclopentylethanone?
The InChIKey is XBQBTZCQGZOHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c14-12-7-3-6-11(9-12)13(15)8-10-4-1-2-5-10/h3,6-7,9-10H,1-2,4-5,8H2.
What are the key properties of 1-(3-bromophenyl)-2-cyclopentylethanone?
1-(3-bromophenyl)-2-cyclopentylethanone has a molecular weight of 267.17 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-cyclopentylethanone is sourced from PubChem (CID 62620769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).