[2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate

C16H12Br2O4 — CID 23856812

IUPAC[2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESO=C(COc1ccc(Br)cc1)OCC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H12Br2O4/c17-12-4-6-14(7-5-12)21-10-16(20)22-9-15(19)11-2-1-3-13(18)8-11/h1-8H,9-10H2
InChIKeyOCMOHMJPMJPZMX-UHFFFAOYSA-N
MW428.08 g/mol
LogP4.02
Rot. Bonds6

About [2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate

[2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate (PubChem CID 23856812) has the molecular formula C16H12Br2O4 and a molecular weight of 428.08 g/mol. Its IUPAC name is [2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate.

Molecular Properties

Compound Name[2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate
PubChem CID23856812
Molecular FormulaC16H12Br2O4
Molecular Weight428.08 g/mol
Exact Mass425.91
IUPAC Name[2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESO=C(COc1ccc(Br)cc1)OCC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H12Br2O4/c17-12-4-6-14(7-5-12)21-10-16(20)22-9-15(19)11-2-1-3-13(18)8-11/h1-8H,9-10H2
InChIKeyOCMOHMJPMJPZMX-UHFFFAOYSA-N
XLogP4.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.08
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide
CID 7931631
[2-(3-bromophenyl)-2-oxoethyl] propanoate
CID 174958294
1-(3-bromophenyl)-2-(4-tert-butylphenoxy)ethanone
CID 43412138
[2-(3-bromophenyl)-2-oxoethyl] carbamate
CID 67555042
1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone
CID 43413547
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140356
ethyl 2-[4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenoxy]acetate
CID 141454766
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7970486
3-[2-(3-bromophenyl)-2-oxoethoxy]benzonitrile
CID 60624033
[2-(3-bromophenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2404662
[2-(3-bromophenyl)-2-oxoethyl] cyclopentanecarboxylate
CID 23939872
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694690

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The IUPAC name of [2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate (CID 23856812) is [2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate.
What is the SMILES notation for [2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The canonical SMILES for [2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate is O=C(COc1ccc(Br)cc1)OCC(=O)c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The InChIKey is OCMOHMJPMJPZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2O4/c17-12-4-6-14(7-5-12)21-10-16(20)22-9-15(19)11-2-1-3-13(18)8-11/h1-8H,9-10H2.
What are the key properties of [2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
[2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate has a molecular weight of 428.08 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate is sourced from PubChem (CID 23856812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).