1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one

C11H13BrO3 — CID 131365350

IUPAC1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one
SMILESCCOc1cc(O)ccc1C(Br)C(C)=O
InChIInChI=1S/C11H13BrO3/c1-3-15-10-6-8(14)4-5-9(10)11(12)7(2)13/h4-6,11,14H,3H2,1-2H3
InChIKeyUGCLUPSTKQXVFR-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.82
Rot. Bonds4

About 1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one

1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one (PubChem CID 131365350) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one
PubChem CID131365350
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one
SMILESCCOc1cc(O)ccc1C(Br)C(C)=O
InChIInChI=1S/C11H13BrO3/c1-3-15-10-6-8(14)4-5-9(10)11(12)7(2)13/h4-6,11,14H,3H2,1-2H3
InChIKeyUGCLUPSTKQXVFR-UHFFFAOYSA-N
XLogP2.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-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

ethyl 4-(1-bromo-2-oxopropyl)-3-ethoxybenzoate
CID 134641262
1-bromo-1-[2-ethoxy-4-(trifluoromethoxy)phenyl]propan-2-one
CID 134615758
3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol
CID 70566041
1-bromo-1-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 131061546
1-bromo-1-(4-ethoxy-2-iodophenyl)propan-2-one
CID 131480490
2-[2-(1-bromo-2-oxopropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid
CID 135741136
1-bromo-1-(4-chloro-3-ethoxyphenyl)propan-2-one
CID 131452626
1-bromo-1-[2-ethoxy-5-(trifluoromethoxy)phenyl]propan-2-one
CID 134615762
2-(1-bromo-2-oxopropyl)-6-ethoxybenzaldehyde
CID 131406648
1-bromo-1-(2-methoxy-4-methylphenyl)propan-2-one
CID 130779045
1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one
CID 130773650
1-bromo-1-[3-ethoxy-2-(trifluoromethoxy)phenyl]propan-2-one
CID 134615885

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one (CID 131365350) is 1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one is CCOc1cc(O)ccc1C(Br)C(C)=O.
What is the InChIKey of 1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one?
The InChIKey is UGCLUPSTKQXVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-3-15-10-6-8(14)4-5-9(10)11(12)7(2)13/h4-6,11,14H,3H2,1-2H3.
What are the key properties of 1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one?
1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one has a molecular weight of 273.13 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 131365350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).