2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone

C15H12Br2O2 — CID 8914654

IUPAC2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
SMILESCc1cc(Br)c(OCC(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C15H12Br2O2/c1-10-7-12(16)15(13(17)8-10)19-9-14(18)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyXPAKPBCWZWTGME-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.78
Rot. Bonds4

About 2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone

2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone (PubChem CID 8914654) has the molecular formula C15H12Br2O2 and a molecular weight of 384.07 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
PubChem CID8914654
Molecular FormulaC15H12Br2O2
Molecular Weight384.07 g/mol
Exact Mass381.92
IUPAC Name2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
SMILESCc1cc(Br)c(OCC(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C15H12Br2O2/c1-10-7-12(16)15(13(17)8-10)19-9-14(18)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyXPAKPBCWZWTGME-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dibromophenoxy)-1-phenylethanone
CID 60593987
2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone
CID 134064664
3-bromo-5-methoxy-4-phenacyloxybenzonitrile
CID 2975409
2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone
CID 20613046
1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60722971
1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 63566170
1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one
CID 116692098
1-(4-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60665300
2-[3,4-diacetyl-6-bromo-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-1-phenylethanone
CID 124818277
1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 63566889
2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone
CID 167431129
(4Z)-4-[(3,5-dibromo-4-phenacyloxyphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19668153

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone?
The IUPAC name of 2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone (CID 8914654) is 2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone.
What is the SMILES notation for 2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone?
The canonical SMILES for 2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone is Cc1cc(Br)c(OCC(=O)c2ccccc2)c(Br)c1.
What is the InChIKey of 2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone?
The InChIKey is XPAKPBCWZWTGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O2/c1-10-7-12(16)15(13(17)8-10)19-9-14(18)11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone?
2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone has a molecular weight of 384.07 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone is sourced from PubChem (CID 8914654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).