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

C12H15BrO3 — CID 82051145

IUPAC1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one
SMILESCCOc1ccc(Br)cc1C(=O)CCOC
InChIInChI=1S/C12H15BrO3/c1-3-16-12-5-4-9(13)8-10(12)11(14)6-7-15-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeySFFCJURJDGYMLJ-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.07
Rot. Bonds6

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

1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one (PubChem CID 82051145) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one
PubChem CID82051145
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one
SMILESCCOc1ccc(Br)cc1C(=O)CCOC
InChIInChI=1S/C12H15BrO3/c1-3-16-12-5-4-9(13)8-10(12)11(14)6-7-15-2/h4-5,8H,3,6-7H2,1-2H3
InChIKeySFFCJURJDGYMLJ-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone
CID 82051142
1-(5-bromo-2-ethoxyphenyl)-4-chlorobutan-1-one
CID 82051152
1-(3-bromo-4-ethoxyphenyl)-3-methoxypropan-1-one
CID 82051325
1-(5-bromo-2-propoxyphenyl)-3-chloropropan-1-one
CID 82051163
1-(5-bromo-2-ethoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82051150
1-(5-bromo-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051148
(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone
CID 43311304
(4-bromo-2-ethoxycarbonylphenyl) 5-bromo-2-ethoxybenzoate
CID 23012871
5-bromo-N-cyclopropyl-2-ethoxybenzamide
CID 135563587
1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione
CID 50889226
1-(5-bromo-2-methoxyphenyl)-3-chloropropan-1-one
CID 82050030
5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide
CID 17140940

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one (CID 82051145) is 1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one is CCOc1ccc(Br)cc1C(=O)CCOC.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one?
The InChIKey is SFFCJURJDGYMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-3-16-12-5-4-9(13)8-10(12)11(14)6-7-15-2/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one?
1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one has a molecular weight of 287.15 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one is sourced from PubChem (CID 82051145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).