1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone

C16H15BrO4 — CID 43799628

IUPAC1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone
SMILESCOc1cccc(OC)c1OCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrO4/c1-19-14-4-3-5-15(20-2)16(14)21-10-13(18)11-6-8-12(17)9-7-11/h3-9H,10H2,1-2H3
InChIKeyBZRDPIABLSHTDG-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.73
Rot. Bonds6

About 1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone

1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone (PubChem CID 43799628) has the molecular formula C16H15BrO4 and a molecular weight of 351.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone
PubChem CID43799628
Molecular FormulaC16H15BrO4
Molecular Weight351.20 g/mol
Exact Mass350.02
IUPAC Name1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone
SMILESCOc1cccc(OC)c1OCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrO4/c1-19-14-4-3-5-15(20-2)16(14)21-10-13(18)11-6-8-12(17)9-7-11/h3-9H,10H2,1-2H3
InChIKeyBZRDPIABLSHTDG-UHFFFAOYSA-N
XLogP3.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
1-(4-bromophenyl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 43425734
3-methoxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]benzonitrile
CID 51060089
1-(4-bromophenyl)-2-(2-prop-1-enylphenoxy)ethanone
CID 76999454
1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone
CID 78908137
2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
CID 6457254
1-(4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 896643
2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone
CID 60625457
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475
2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 60659477
3-bromo-5-methoxy-4-phenacyloxybenzonitrile
CID 2975409
2-(2,6-difluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 78908099

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone (CID 43799628) is 1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone is COc1cccc(OC)c1OCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone?
The InChIKey is BZRDPIABLSHTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO4/c1-19-14-4-3-5-15(20-2)16(14)21-10-13(18)11-6-8-12(17)9-7-11/h3-9H,10H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone?
1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone has a molecular weight of 351.20 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone is sourced from PubChem (CID 43799628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).