2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone

C18H19BrO2 — CID 107725175

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)COc2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C18H19BrO2/c1-11-5-6-12(2)16(7-11)17(20)10-21-15-8-13(3)18(19)14(4)9-15/h5-9H,10H2,1-4H3
InChIKeyIPKNPJZIZSTLMO-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.94
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone

2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone (PubChem CID 107725175) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone
PubChem CID107725175
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)COc2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C18H19BrO2/c1-11-5-6-12(2)16(7-11)17(20)10-21-15-8-13(3)18(19)14(4)9-15/h5-9H,10H2,1-4H3
InChIKeyIPKNPJZIZSTLMO-UHFFFAOYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 55027185
1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone
CID 43413063
2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625035
1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624137
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(2,5-dimethylphenyl)ethanone
CID 43411830
1-(2,5-dimethylphenyl)-2-(2,4,6-triiodophenoxy)ethanone
CID 63565815
2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]acetic acid
CID 61328943
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625071
bis[2-(2,5-dimethylphenyl)-2-oxoethyl] (E)-but-2-enedioate
CID 46803606
2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide
CID 47014341
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-bromobenzoate
CID 2565891
2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 107725167

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone (CID 107725175) is 2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(C(=O)COc2cc(C)c(Br)c(C)c2)c1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone?
The InChIKey is IPKNPJZIZSTLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c1-11-5-6-12(2)16(7-11)17(20)10-21-15-8-13(3)18(19)14(4)9-15/h5-9H,10H2,1-4H3.
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone?
2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone has a molecular weight of 347.25 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 107725175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).