1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone

C13H17BrO2 — CID 102948061

IUPAC1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone
SMILESCCC(CC)Oc1cc(Br)ccc1C(C)=O
InChIInChI=1S/C13H17BrO2/c1-4-11(5-2)16-13-8-10(14)6-7-12(13)9(3)15/h6-8,11H,4-5H2,1-3H3
InChIKeyDLLAYTKFTULCEJ-UHFFFAOYSA-N
MW285.18 g/mol
LogP4.22
Rot. Bonds5

About 1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone

1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone (PubChem CID 102948061) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone
PubChem CID102948061
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone
SMILESCCC(CC)Oc1cc(Br)ccc1C(C)=O
InChIInChI=1S/C13H17BrO2/c1-4-11(5-2)16-13-8-10(14)6-7-12(13)9(3)15/h6-8,11H,4-5H2,1-3H3
InChIKeyDLLAYTKFTULCEJ-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone
CID 82001376
1-(4-bromo-2-octan-2-yloxyphenyl)ethanone
CID 82972449
2-(2-acetyl-5-bromophenoxy)propanenitrile
CID 102948025
1-(4-bromo-2-pentoxyphenyl)ethanone
CID 82972299
1-[4-bromo-2-(4-butan-2-ylphenoxy)phenyl]ethanone
CID 107665196
1-[4-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966599
5-bromo-2-pentan-3-yloxybenzenecarbothioamide
CID 83145045
1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
CID 82967703
1-[4-bromo-2-(2-propoxyphenoxy)phenyl]ethanone
CID 82956146
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966600
1-(4-bromo-2-cyclopentyloxyphenyl)ethanone
CID 70085923
1-[4-bromo-2-(2-hydroxy-3-methoxypropoxy)phenyl]ethanone
CID 103931759

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone?
The IUPAC name of 1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone (CID 102948061) is 1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone?
The canonical SMILES for 1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone is CCC(CC)Oc1cc(Br)ccc1C(C)=O.
What is the InChIKey of 1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone?
The InChIKey is DLLAYTKFTULCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-4-11(5-2)16-13-8-10(14)6-7-12(13)9(3)15/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone?
1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone has a molecular weight of 285.18 g/mol, XLogP of 4.22, 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-pentan-3-yloxyphenyl)ethanone is sourced from PubChem (CID 102948061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).