2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone

C15H13BrO3 — CID 60625457

IUPAC2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H13BrO3/c1-18-15-5-3-2-4-13(15)14(17)10-19-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3
InChIKeyGKIGCCHYRKWCRN-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.72
Rot. Bonds5

About 2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone

2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone (PubChem CID 60625457) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone
PubChem CID60625457
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H13BrO3/c1-18-15-5-3-2-4-13(15)14(17)10-19-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3
InChIKeyGKIGCCHYRKWCRN-UHFFFAOYSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 62029870
2-[4-(2-hydroxyethyl)phenoxy]-1-(2-methoxyphenyl)ethanone
CID 107709230
[2-(2-methoxyphenyl)-2-oxoethyl] 4-bromobenzoate
CID 2357062
(2-methoxyphenyl) 2-(4-bromophenoxy)acetate
CID 78777315
2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925475
[2-(2-methoxyphenyl)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate
CID 7971654
2-(2,6-difluorophenoxy)-1-(2-methoxyphenyl)ethanone
CID 78908110
2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 55027185
5-[[4-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 25230336
1-(3-bromo-2,4-dimethoxyphenyl)-2-phenoxyethanone
CID 103523048

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone (CID 60625457) is 2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone?
The InChIKey is GKIGCCHYRKWCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c1-18-15-5-3-2-4-13(15)14(17)10-19-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone?
2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone has a molecular weight of 321.17 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 60625457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).