2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone

C28H18Br4O3 — CID 68953241

IUPAC2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone
SMILESO=C(Cc1cc(Br)cc(Br)c1)c1ccc(Oc2ccc(C(=O)Cc3cc(Br)cc(Br)c3)cc2)cc1
InChIInChI=1S/C28H18Br4O3/c29-21-9-17(10-22(30)15-21)13-27(33)19-1-5-25(6-2-19)35-26-7-3-20(4-8-26)28(34)14-18-11-23(31)16-24(32)12-18/h1-12,15-16H,13-14H2
InChIKeyAANAKWGBTZAATM-UHFFFAOYSA-N
MW722.07 g/mol
LogP9.38
Rot. Bonds8

About 2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone

2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone (PubChem CID 68953241) has the molecular formula C28H18Br4O3 and a molecular weight of 722.07 g/mol. Its IUPAC name is 2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone
PubChem CID68953241
Molecular FormulaC28H18Br4O3
Molecular Weight722.07 g/mol
Exact Mass717.80
IUPAC Name2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone
SMILESO=C(Cc1cc(Br)cc(Br)c1)c1ccc(Oc2ccc(C(=O)Cc3cc(Br)cc(Br)c3)cc2)cc1
InChIInChI=1S/C28H18Br4O3/c29-21-9-17(10-22(30)15-21)13-27(33)19-1-5-25(6-2-19)35-26-7-3-20(4-8-26)28(34)14-18-11-23(31)16-24(32)12-18/h1-12,15-16H,13-14H2
InChIKeyAANAKWGBTZAATM-UHFFFAOYSA-N
XLogP9.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.07
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone
CID 14256935
2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone
CID 59341202
2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone
CID 112693818
2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone
CID 79701233
1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone
CID 102402149
1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone
CID 149305974
2-(4-bromo-2-nitrophenyl)-1-[4-(4-bromophenoxy)phenyl]ethanone
CID 13238537
2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone
CID 158282990
methyl 3-[4-(4-bromophenoxy)phenyl]-3-oxopropanoate
CID 166949210
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone
CID 58187299

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone?
The IUPAC name of 2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone (CID 68953241) is 2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone.
What is the SMILES notation for 2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone?
The canonical SMILES for 2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone is O=C(Cc1cc(Br)cc(Br)c1)c1ccc(Oc2ccc(C(=O)Cc3cc(Br)cc(Br)c3)cc2)cc1.
What is the InChIKey of 2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone?
The InChIKey is AANAKWGBTZAATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18Br4O3/c29-21-9-17(10-22(30)15-21)13-27(33)19-1-5-25(6-2-19)35-26-7-3-20(4-8-26)28(34)14-18-11-23(31)16-24(32)12-18/h1-12,15-16H,13-14H2.
What are the key properties of 2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone?
2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone has a molecular weight of 722.07 g/mol, XLogP of 9.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone is sourced from PubChem (CID 68953241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).