1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one

C15H19BrO3 — CID 104657118

IUPAC1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one
SMILESCOCCOc1ccc(C(=O)C(C)C2CC2)cc1Br
InChIInChI=1S/C15H19BrO3/c1-10(11-3-4-11)15(17)12-5-6-14(13(16)9-12)19-8-7-18-2/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyFZAXJRVNBMSVRP-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.70
Rot. Bonds7

About 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one

1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one (PubChem CID 104657118) has the molecular formula C15H19BrO3 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one
PubChem CID104657118
Molecular FormulaC15H19BrO3
Molecular Weight327.22 g/mol
Exact Mass326.05
IUPAC Name1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one
SMILESCOCCOc1ccc(C(=O)C(C)C2CC2)cc1Br
InChIInChI=1S/C15H19BrO3/c1-10(11-3-4-11)15(17)12-5-6-14(13(16)9-12)19-8-7-18-2/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyFZAXJRVNBMSVRP-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one 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-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one
CID 83144881
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-methylpentan-1-one
CID 104657146
3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide
CID 15943284
3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
CID 15943150
[4-[3-bromo-4-(2-methoxyethoxy)benzoyl]piperazin-1-yl]-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone
CID 17357131
2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 83153883
ethyl 3-bromo-4-(2-methoxyethoxy)benzoate
CID 11839084
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-3,3-dimethylbutan-1-one
CID 113438033
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-chlorophenyl)methanone
CID 104657186
3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17356436
3-bromo-N-[4-[[4-[[3-bromo-4-(2-methoxyethoxy)benzoyl]amino]phenyl]methyl]phenyl]-4-(2-methoxyethoxy)benzamide
CID 17357137
1-(3-bromo-4-ethoxyphenyl)-2-methylpropan-1-one
CID 104656822

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one?
The IUPAC name of 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one (CID 104657118) is 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one.
What is the SMILES notation for 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one?
The canonical SMILES for 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one is COCCOc1ccc(C(=O)C(C)C2CC2)cc1Br.
What is the InChIKey of 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one?
The InChIKey is FZAXJRVNBMSVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO3/c1-10(11-3-4-11)15(17)12-5-6-14(13(16)9-12)19-8-7-18-2/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one?
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one has a molecular weight of 327.22 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one is sourced from PubChem (CID 104657118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).