2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone

C14H8BrCl3O2 — CID 20574469

IUPAC2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(c1ccc(Cl)cc1Cl)C(Br)Oc1cccc(Cl)c1
InChIInChI=1S/C14H8BrCl3O2/c15-14(20-10-3-1-2-8(16)6-10)13(19)11-5-4-9(17)7-12(11)18/h1-7,14H
InChIKeyKIHIGTOHIPSWID-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.63
Rot. Bonds4

About 2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone

2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone (PubChem CID 20574469) has the molecular formula C14H8BrCl3O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
PubChem CID20574469
Molecular FormulaC14H8BrCl3O2
Molecular Weight394.48 g/mol
Exact Mass391.88
IUPAC Name2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(c1ccc(Cl)cc1Cl)C(Br)Oc1cccc(Cl)c1
InChIInChI=1S/C14H8BrCl3O2/c15-14(20-10-3-1-2-8(16)6-10)13(19)11-5-4-9(17)7-12(11)18/h1-7,14H
InChIKeyKIHIGTOHIPSWID-UHFFFAOYSA-N
XLogP5.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-2-(2,6-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 20574488
2-bromo-1-(2,4-dichlorophenyl)-2-(4-iodo-2-methylphenoxy)ethanone
CID 20574466
2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone
CID 87217528
2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one
CID 130136731
2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone
CID 86098425
3-[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 62030483
2,4-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154669
(3-chlorophenyl) 2-bromopropanoate
CID 87059196
(2,4-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 63492359
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one
CID 107659489
2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone
CID 81236882

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone (CID 20574469) is 2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone is O=C(c1ccc(Cl)cc1Cl)C(Br)Oc1cccc(Cl)c1.
What is the InChIKey of 2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is KIHIGTOHIPSWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl3O2/c15-14(20-10-3-1-2-8(16)6-10)13(19)11-5-4-9(17)7-12(11)18/h1-7,14H.
What are the key properties of 2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone?
2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 394.48 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 20574469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).