1-(4-bromo-2-cyclopentyloxyphenyl)ethanone

C13H15BrO2 — CID 70085923

IUPAC1-(4-bromo-2-cyclopentyloxyphenyl)ethanone
SMILESCC(=O)c1ccc(Br)cc1OC1CCCC1
InChIInChI=1S/C13H15BrO2/c1-9(15)12-7-6-10(14)8-13(12)16-11-4-2-3-5-11/h6-8,11H,2-5H2,1H3
InChIKeyUXBWHUIQJZJLDC-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.97
Rot. Bonds3

About 1-(4-bromo-2-cyclopentyloxyphenyl)ethanone

1-(4-bromo-2-cyclopentyloxyphenyl)ethanone (PubChem CID 70085923) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-(4-bromo-2-cyclopentyloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2-cyclopentyloxyphenyl)ethanone
PubChem CID70085923
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name1-(4-bromo-2-cyclopentyloxyphenyl)ethanone
SMILESCC(=O)c1ccc(Br)cc1OC1CCCC1
InChIInChI=1S/C13H15BrO2/c1-9(15)12-7-6-10(14)8-13(12)16-11-4-2-3-5-11/h6-8,11H,2-5H2,1H3
InChIKeyUXBWHUIQJZJLDC-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]ethanone
CID 114341240
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632
dipotassium;1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;carbonate
CID 160914962
1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
CID 82967703
1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine
CID 160524221
1-[4-bromo-2-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanone
CID 82971444
4-bromo-2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 114907573
1-[4-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966599
4-bromo-2-cyclohexyloxy-1-fluorobenzene
CID 114672606
1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
CID 82975923
1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone
CID 102948061
2-(2-aminocyclohexyl)oxy-4-bromobenzamide
CID 114907115

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-cyclopentyloxyphenyl)ethanone?
The IUPAC name of 1-(4-bromo-2-cyclopentyloxyphenyl)ethanone (CID 70085923) is 1-(4-bromo-2-cyclopentyloxyphenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-2-cyclopentyloxyphenyl)ethanone?
The canonical SMILES for 1-(4-bromo-2-cyclopentyloxyphenyl)ethanone is CC(=O)c1ccc(Br)cc1OC1CCCC1.
What is the InChIKey of 1-(4-bromo-2-cyclopentyloxyphenyl)ethanone?
The InChIKey is UXBWHUIQJZJLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-9(15)12-7-6-10(14)8-13(12)16-11-4-2-3-5-11/h6-8,11H,2-5H2,1H3.
What are the key properties of 1-(4-bromo-2-cyclopentyloxyphenyl)ethanone?
1-(4-bromo-2-cyclopentyloxyphenyl)ethanone has a molecular weight of 283.16 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-cyclopentyloxyphenyl)ethanone is sourced from PubChem (CID 70085923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).