2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone

C14H9BrCl2O2 — CID 60624979

IUPAC2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
SMILESO=C(COc1ccc(Br)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H9BrCl2O2/c15-9-5-6-14(12(17)7-9)19-8-13(18)10-3-1-2-4-11(10)16/h1-7H,8H2
InChIKeyQTMLIMDOTPJDKF-UHFFFAOYSA-N
MW360.03 g/mol
LogP5.02
Rot. Bonds4

About 2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone

2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone (PubChem CID 60624979) has the molecular formula C14H9BrCl2O2 and a molecular weight of 360.03 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
PubChem CID60624979
Molecular FormulaC14H9BrCl2O2
Molecular Weight360.03 g/mol
Exact Mass357.92
IUPAC Name2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
SMILESO=C(COc1ccc(Br)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H9BrCl2O2/c15-9-5-6-14(12(17)7-9)19-8-13(18)10-3-1-2-4-11(10)16/h1-7H,8H2
InChIKeyQTMLIMDOTPJDKF-UHFFFAOYSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.03
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone
CID 7809726
1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone
CID 62673255
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 60625746
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
1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone
CID 60625595
2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide
CID 79194704
2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone
CID 115648637
2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone
CID 62098415
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4937939

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone (CID 60624979) is 2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone is O=C(COc1ccc(Br)cc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone?
The InChIKey is QTMLIMDOTPJDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2O2/c15-9-5-6-14(12(17)7-9)19-8-13(18)10-3-1-2-4-11(10)16/h1-7H,8H2.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone?
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone has a molecular weight of 360.03 g/mol, XLogP of 5.02, 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-(2-chlorophenyl)ethanone is sourced from PubChem (CID 60624979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).