1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone

C14H10BrClO2 — CID 28880169

IUPAC1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C14H10BrClO2/c1-9(17)11-4-2-3-5-13(11)18-14-7-6-10(15)8-12(14)16/h2-8H,1H3
InChIKeySLNDRUYDGOUFGQ-UHFFFAOYSA-N
MW325.59 g/mol
LogP5.10
Rot. Bonds3

About 1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone

1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone (PubChem CID 28880169) has the molecular formula C14H10BrClO2 and a molecular weight of 325.59 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone
PubChem CID28880169
Molecular FormulaC14H10BrClO2
Molecular Weight325.59 g/mol
Exact Mass323.96
IUPAC Name1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C14H10BrClO2/c1-9(17)11-4-2-3-5-13(11)18-14-7-6-10(15)8-12(14)16/h2-8H,1H3
InChIKeySLNDRUYDGOUFGQ-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.59
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(2-chloro-4-methylphenoxy)phenyl]ethanone
CID 82971828
1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone
CID 107284751
1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 20571965
1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone
CID 82971994
1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone
CID 82972451
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 104529281
1-[3-bromo-4-(2-chlorophenoxy)phenyl]ethanone
CID 62908154
3-(4-bromo-2-chlorophenoxy)-2-nitrobenzoic acid
CID 115541000
1-[2-(3,4-dichlorophenoxy)phenyl]ethanone
CID 60699063
1-[4-bromo-2-(2-propoxyphenoxy)phenyl]ethanone
CID 82956146
1-[4-(5-bromo-2-methylphenoxy)-3-chlorophenyl]ethanone
CID 107284741

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone (CID 28880169) is 1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone is CC(=O)c1ccccc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of 1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone?
The InChIKey is SLNDRUYDGOUFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO2/c1-9(17)11-4-2-3-5-13(11)18-14-7-6-10(15)8-12(14)16/h2-8H,1H3.
What are the key properties of 1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone?
1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone has a molecular weight of 325.59 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone is sourced from PubChem (CID 28880169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).