2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone

C15H11BrF2O2 — CID 83140068

IUPAC2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone
SMILESCc1cc(OCC(=O)c2c(F)cccc2F)ccc1Br
InChIInChI=1S/C15H11BrF2O2/c1-9-7-10(5-6-11(9)16)20-8-14(19)15-12(17)3-2-4-13(15)18/h2-7H,8H2,1H3
InChIKeyJIKXFLHVHAKSBR-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.30
Rot. Bonds4

About 2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone

2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone (PubChem CID 83140068) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone
PubChem CID83140068
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone
SMILESCc1cc(OCC(=O)c2c(F)cccc2F)ccc1Br
InChIInChI=1S/C15H11BrF2O2/c1-9-7-10(5-6-11(9)16)20-8-14(19)15-12(17)3-2-4-13(15)18/h2-7H,8H2,1H3
InChIKeyJIKXFLHVHAKSBR-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43222244
2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone
CID 83140397
2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone
CID 60662333
1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 61218583
2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 83140733
1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612545
1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone
CID 60662380
(4-bromophenyl) 2-(4-bromo-3-methylphenoxy)acetate
CID 19179258
N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]-2-fluorobenzamide
CID 4950518
1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
CID 112652330
3-[2-(4-bromo-3-methylphenoxy)acetyl]oxybenzoic acid
CID 54854730
2-(3-fluorophenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43413394

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone (CID 83140068) is 2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone is Cc1cc(OCC(=O)c2c(F)cccc2F)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone?
The InChIKey is JIKXFLHVHAKSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c1-9-7-10(5-6-11(9)16)20-8-14(19)15-12(17)3-2-4-13(15)18/h2-7H,8H2,1H3.
What are the key properties of 2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone?
2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone has a molecular weight of 341.15 g/mol, XLogP of 4.30, 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-methylphenoxy)-1-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 83140068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).