1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one

C16H13BrCl2O2 — CID 65328007

IUPAC1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one
SMILESCOc1ccc(Br)c(CC(=O)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H13BrCl2O2/c1-21-12-5-6-14(17)10(8-12)7-11(20)9-13-15(18)3-2-4-16(13)19/h2-6,8H,7,9H2,1H3
InChIKeyJJSUVAMOZHXLRP-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.12
Rot. Bonds5

About 1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one

1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one (PubChem CID 65328007) has the molecular formula C16H13BrCl2O2 and a molecular weight of 388.09 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one
PubChem CID65328007
Molecular FormulaC16H13BrCl2O2
Molecular Weight388.09 g/mol
Exact Mass385.95
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one
SMILESCOc1ccc(Br)c(CC(=O)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H13BrCl2O2/c1-21-12-5-6-14(17)10(8-12)7-11(20)9-13-15(18)3-2-4-16(13)19/h2-6,8H,7,9H2,1H3
InChIKeyJJSUVAMOZHXLRP-UHFFFAOYSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.09
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101623
1-(2-bromo-5-methoxyphenyl)pentan-2-one
CID 65327573
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115862161
1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63410030
1-bromo-2-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-4-methoxybenzene
CID 114321028
1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one
CID 116562652
1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one
CID 65327335
2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone
CID 114973583
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-one
CID 66145597
1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene
CID 65326523
5-amino-1-(2-bromo-5-methoxyphenyl)-4-methylpentan-2-one
CID 116596709

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one (CID 65328007) is 1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one is COc1ccc(Br)c(CC(=O)Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one?
The InChIKey is JJSUVAMOZHXLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2O2/c1-21-12-5-6-14(17)10(8-12)7-11(20)9-13-15(18)3-2-4-16(13)19/h2-6,8H,7,9H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one?
1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one has a molecular weight of 388.09 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one is sourced from PubChem (CID 65328007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).