1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one

C15H19BrO2 — CID 43339908

IUPAC1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one
SMILESCOc1ccc(Br)cc1C(=O)CCC1CCCC1
InChIInChI=1S/C15H19BrO2/c1-18-15-9-7-12(16)10-13(15)14(17)8-6-11-4-2-3-5-11/h7,9-11H,2-6,8H2,1H3
InChIKeyDBXVAXLSPSDMTA-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.61
Rot. Bonds5

About 1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one

1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one (PubChem CID 43339908) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one
PubChem CID43339908
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one
SMILESCOc1ccc(Br)cc1C(=O)CCC1CCCC1
InChIInChI=1S/C15H19BrO2/c1-18-15-9-7-12(16)10-13(15)14(17)8-6-11-4-2-3-5-11/h7,9-11H,2-6,8H2,1H3
InChIKeyDBXVAXLSPSDMTA-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one
CID 114978342
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63951721
1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one
CID 115784576
1-(5-bromo-2-methoxyphenyl)-3-chloropropan-1-one
CID 82050030
3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one
CID 114978303
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 115797651
(2S)-1-[4-(5-bromo-2-methoxyphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 119365861
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
N-[2-(aminomethyl)cyclohexyl]-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119612214
4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene
CID 63435537
(5-bromo-2-methoxyphenyl)-(oxan-2-yl)methanone
CID 55048137
1-(5-bromo-2-methoxyphenyl)-4-[4-(methylaminomethyl)piperidin-1-yl]butane-1,4-dione;hydrochloride
CID 119546617

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one (CID 43339908) is 1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one is COc1ccc(Br)cc1C(=O)CCC1CCCC1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one?
The InChIKey is DBXVAXLSPSDMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2/c1-18-15-9-7-12(16)10-13(15)14(17)8-6-11-4-2-3-5-11/h7,9-11H,2-6,8H2,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one?
1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one has a molecular weight of 311.22 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one is sourced from PubChem (CID 43339908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).