2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone

C14H9Br2ClO2 — CID 7809726

IUPAC2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone
SMILESO=C(COc1ccc(Br)cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H9Br2ClO2/c15-10-3-1-2-9(6-10)13(18)8-19-14-5-4-11(16)7-12(14)17/h1-7H,8H2
InChIKeySCZKLDIETCFILC-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.13
Rot. Bonds4

About 2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone

2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone (PubChem CID 7809726) has the molecular formula C14H9Br2ClO2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone
PubChem CID7809726
Molecular FormulaC14H9Br2ClO2
Molecular Weight404.49 g/mol
Exact Mass401.87
IUPAC Name2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone
SMILESO=C(COc1ccc(Br)cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H9Br2ClO2/c15-10-3-1-2-9(6-10)13(18)8-19-14-5-4-11(16)7-12(14)17/h1-7H,8H2
InChIKeySCZKLDIETCFILC-UHFFFAOYSA-N
XLogP5.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone
CID 60625595
4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde
CID 62033108
1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone
CID 7873660
2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone
CID 55221609
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979
1-(3-bromophenyl)-2-[(2-chloro-3-pyridinyl)oxy]ethanone
CID 166021386
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone
CID 60624463
2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 60624989
2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 60624990
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide
CID 17222660
N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide
CID 43413534
1-(3-bromophenyl)-2-(2-nitrophenoxy)ethanone
CID 7503868

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone (CID 7809726) is 2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone is O=C(COc1ccc(Br)cc1Cl)c1cccc(Br)c1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone?
The InChIKey is SCZKLDIETCFILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2ClO2/c15-10-3-1-2-9(6-10)13(18)8-19-14-5-4-11(16)7-12(14)17/h1-7H,8H2.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone?
2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone has a molecular weight of 404.49 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone is sourced from PubChem (CID 7809726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).