1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone

C14H9BrCl2O2 — CID 60624762

IUPAC1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone
SMILESO=C(COc1cccc(Cl)c1Cl)c1ccccc1Br
InChIInChI=1S/C14H9BrCl2O2/c15-10-5-2-1-4-9(10)12(18)8-19-13-7-3-6-11(16)14(13)17/h1-7H,8H2
InChIKeyMEPCRVBAJBHSHA-UHFFFAOYSA-N
MW360.03 g/mol
LogP5.02
Rot. Bonds4

About 1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone

1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone (PubChem CID 60624762) has the molecular formula C14H9BrCl2O2 and a molecular weight of 360.03 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone
PubChem CID60624762
Molecular FormulaC14H9BrCl2O2
Molecular Weight360.03 g/mol
Exact Mass357.92
IUPAC Name1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone
SMILESO=C(COc1cccc(Cl)c1Cl)c1ccccc1Br
InChIInChI=1S/C14H9BrCl2O2/c15-10-5-2-1-4-9(10)12(18)8-19-13-7-3-6-11(16)14(13)17/h1-7H,8H2
InChIKeyMEPCRVBAJBHSHA-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-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805
1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone
CID 62673255
1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412397
1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone
CID 63649687
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979
2-chloro-6-[2-(2-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323691
1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone
CID 82716737
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one
CID 107508075
1-(2-chlorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712924
2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 166094938
1-(2,3-dichlorophenyl)-2-propoxyethanone
CID 62789930

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone (CID 60624762) is 1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone is O=C(COc1cccc(Cl)c1Cl)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone?
The InChIKey is MEPCRVBAJBHSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2O2/c15-10-5-2-1-4-9(10)12(18)8-19-13-7-3-6-11(16)14(13)17/h1-7H,8H2.
What are the key properties of 1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone?
1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)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 1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone is sourced from PubChem (CID 60624762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).