1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one

C10H10BrClO3 — CID 107508163

IUPAC1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one
SMILESCOCC(=O)COc1cc(Br)ccc1Cl
InChIInChI=1S/C10H10BrClO3/c1-14-5-8(13)6-15-10-4-7(11)2-3-9(10)12/h2-4H,5-6H2,1H3
InChIKeyZTXBCRIQZCQDQX-UHFFFAOYSA-N
MW293.54 g/mol
LogP2.70
Rot. Bonds5

About 1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one

1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one (PubChem CID 107508163) has the molecular formula C10H10BrClO3 and a molecular weight of 293.54 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one
PubChem CID107508163
Molecular FormulaC10H10BrClO3
Molecular Weight293.54 g/mol
Exact Mass291.95
IUPAC Name1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one
SMILESCOCC(=O)COc1cc(Br)ccc1Cl
InChIInChI=1S/C10H10BrClO3/c1-14-5-8(13)6-15-10-4-7(11)2-3-9(10)12/h2-4H,5-6H2,1H3
InChIKeyZTXBCRIQZCQDQX-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.54
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide
CID 60773290
4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene
CID 66043796
4-bromo-1-chloro-2-[(Z)-3-chloro-2-methylprop-2-enoxy]benzene
CID 106438538
1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one
CID 107508257
1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one
CID 107508075
4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene
CID 79167187
2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 112828409
2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide
CID 60773244
2-(5-bromo-2-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 112828375
1-(2,4-dibromophenoxy)butan-2-one
CID 62038524
2-[(5-bromo-2-chlorophenoxy)methyl]-2-ethylbutane-1-sulfonyl chloride
CID 65004134
1-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropan-2-one
CID 107508114

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one?
The IUPAC name of 1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one (CID 107508163) is 1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one?
The canonical SMILES for 1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one is COCC(=O)COc1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one?
The InChIKey is ZTXBCRIQZCQDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO3/c1-14-5-8(13)6-15-10-4-7(11)2-3-9(10)12/h2-4H,5-6H2,1H3.
What are the key properties of 1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one?
1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one has a molecular weight of 293.54 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one is sourced from PubChem (CID 107508163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).