2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone

C15H13BrO3 — CID 60623809

IUPAC2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)COc2ccccc2Br)c1
InChIInChI=1S/C15H13BrO3/c1-18-12-6-4-5-11(9-12)14(17)10-19-15-8-3-2-7-13(15)16/h2-9H,10H2,1H3
InChIKeyBWOVDWCKLSZUEH-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.72
Rot. Bonds5

About 2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone

2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone (PubChem CID 60623809) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone
PubChem CID60623809
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)COc2ccccc2Br)c1
InChIInChI=1S/C15H13BrO3/c1-18-12-6-4-5-11(9-12)14(17)10-19-15-8-3-2-7-13(15)16/h2-9H,10H2,1H3
InChIKeyBWOVDWCKLSZUEH-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

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Related Compounds

2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone
CID 39109652
2-(2-bromophenoxy)-N-(3-methoxyphenyl)acetamide
CID 729437
2-hydroxybenzamide;2-[2-(3-methoxyphenyl)-2-oxoethoxy]benzamide
CID 157146573
3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760397
2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone
CID 10638587
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone
CID 60625595
[2-(2-oxopropoxy)phenyl] 3-methoxybenzoate
CID 51055617
2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 112821920
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805
(1S,2S,6S,7S)-4-[2-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 6595516

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone (CID 60623809) is 2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)COc2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone?
The InChIKey is BWOVDWCKLSZUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c1-18-12-6-4-5-11(9-12)14(17)10-19-15-8-3-2-7-13(15)16/h2-9H,10H2,1H3.
What are the key properties of 2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone?
2-(2-bromophenoxy)-1-(3-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-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 60623809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).