1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone

C16H14Br2O3 — CID 102948039

IUPAC1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(Br)cc1COc1cc(Br)ccc1C(C)=O
InChIInChI=1S/C16H14Br2O3/c1-10(19)14-5-3-13(18)8-16(14)21-9-11-7-12(17)4-6-15(11)20-2/h3-8H,9H2,1-2H3
InChIKeyOSUQGSCOMVQAPP-UHFFFAOYSA-N
MW414.09 g/mol
LogP5.00
Rot. Bonds5

About 1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone

1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone (PubChem CID 102948039) has the molecular formula C16H14Br2O3 and a molecular weight of 414.09 g/mol. Its IUPAC name is 1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
PubChem CID102948039
Molecular FormulaC16H14Br2O3
Molecular Weight414.09 g/mol
Exact Mass411.93
IUPAC Name1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(Br)cc1COc1cc(Br)ccc1C(C)=O
InChIInChI=1S/C16H14Br2O3/c1-10(19)14-5-3-13(18)8-16(14)21-9-11-7-12(17)4-6-15(11)20-2/h3-8H,9H2,1-2H3
InChIKeyOSUQGSCOMVQAPP-UHFFFAOYSA-N
XLogP5.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.09
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone
CID 102948055
2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylbenzoic acid
CID 60711640
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78978251
1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone
CID 102947956
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 115918445
4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
CID 54971308
1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 55399315
methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate
CID 9019523
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
methyl 2-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]acetate
CID 55400234
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanone
CID 113427004
1-[4-[(5-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
CID 28530286

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone (CID 102948039) is 1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone is COc1ccc(Br)cc1COc1cc(Br)ccc1C(C)=O.
What is the InChIKey of 1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone?
The InChIKey is OSUQGSCOMVQAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O3/c1-10(19)14-5-3-13(18)8-16(14)21-9-11-7-12(17)4-6-15(11)20-2/h3-8H,9H2,1-2H3.
What are the key properties of 1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone?
1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone has a molecular weight of 414.09 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 102948039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).