1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone

C10H11BrO3 — CID 43799540

IUPAC1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
SMILESCOCC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H11BrO3/c1-13-6-9(12)7-3-4-10(14-2)8(11)5-7/h3-5H,6H2,1-2H3
InChIKeyCOTONTDCROOSJI-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.29
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone

1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone (PubChem CID 43799540) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
PubChem CID43799540
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
SMILESCOCC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H11BrO3/c1-13-6-9(12)7-3-4-10(14-2)8(11)5-7/h3-5H,6H2,1-2H3
InChIKeyCOTONTDCROOSJI-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethoxy)ethanone
CID 43799010
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
1-(3-bromo-4-methoxyphenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanone
CID 103403826
1-(3-bromo-4-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone
CID 103178988
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-one
CID 43161769
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-ethylbenzoate
CID 16525161
1-(3-bromo-4-methoxyphenyl)pentan-1-one
CID 43161744
1-(3-bromo-4-methoxyphenyl)-4,4-dimethylpentan-1-one
CID 114970106
1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone
CID 78908137
1-(3-bromo-4-methoxyphenyl)-2-heptoxyethanone
CID 43800136
1-(3-bromo-4-methoxyphenyl)-2-(2,4-difluorophenoxy)ethanone
CID 43218884
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
CID 43339868

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone (CID 43799540) is 1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone is COCC(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone?
The InChIKey is COTONTDCROOSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-13-6-9(12)7-3-4-10(14-2)8(11)5-7/h3-5H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone?
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone has a molecular weight of 259.10 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone is sourced from PubChem (CID 43799540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).