2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone

C16H15BrO2 — CID 55027185

IUPAC2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C16H15BrO2/c1-11-3-4-12(2)15(9-11)16(18)10-19-14-7-5-13(17)6-8-14/h3-9H,10H2,1-2H3
InChIKeyFRUFUFHUUQALSM-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.33
Rot. Bonds4

About 2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone

2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone (PubChem CID 55027185) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone
PubChem CID55027185
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C16H15BrO2/c1-11-3-4-12(2)15(9-11)16(18)10-19-14-7-5-13(17)6-8-14/h3-9H,10H2,1-2H3
InChIKeyFRUFUFHUUQALSM-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone
CID 43413063
2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 107725175
1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624137
2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625035
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(2,5-dimethylphenyl)ethanone
CID 43411830
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140911
1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone
CID 60626805
2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone
CID 60625457
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide
CID 47014341
1-(2,5-dimethylphenyl)-2-(2,4,6-triiodophenoxy)ethanone
CID 63565815
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide
CID 60537657

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone (CID 55027185) is 2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(C(=O)COc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone?
The InChIKey is FRUFUFHUUQALSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-11-3-4-12(2)15(9-11)16(18)10-19-14-7-5-13(17)6-8-14/h3-9H,10H2,1-2H3.
What are the key properties of 2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone?
2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone has a molecular weight of 319.20 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 55027185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).