2-bromo-1-(4-phenoxyphenyl)propan-1-one

C15H13BrO2 — CID 43326953

IUPAC2-bromo-1-(4-phenoxyphenyl)propan-1-one
SMILESCC(Br)C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H13BrO2/c1-11(16)15(17)12-7-9-14(10-8-12)18-13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyGREFNWJIXOAHOJ-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.45
Rot. Bonds4

About 2-bromo-1-(4-phenoxyphenyl)propan-1-one

2-bromo-1-(4-phenoxyphenyl)propan-1-one (PubChem CID 43326953) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 2-bromo-1-(4-phenoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-bromo-1-(4-phenoxyphenyl)propan-1-one
PubChem CID43326953
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name2-bromo-1-(4-phenoxyphenyl)propan-1-one
SMILESCC(Br)C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H13BrO2/c1-11(16)15(17)12-7-9-14(10-8-12)18-13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyGREFNWJIXOAHOJ-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-phenoxyphenyl)propan-1-one?
The IUPAC name of 2-bromo-1-(4-phenoxyphenyl)propan-1-one (CID 43326953) is 2-bromo-1-(4-phenoxyphenyl)propan-1-one.
What is the SMILES notation for 2-bromo-1-(4-phenoxyphenyl)propan-1-one?
The canonical SMILES for 2-bromo-1-(4-phenoxyphenyl)propan-1-one is CC(Br)C(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-bromo-1-(4-phenoxyphenyl)propan-1-one?
The InChIKey is GREFNWJIXOAHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-11(16)15(17)12-7-9-14(10-8-12)18-13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 2-bromo-1-(4-phenoxyphenyl)propan-1-one?
2-bromo-1-(4-phenoxyphenyl)propan-1-one has a molecular weight of 305.17 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-phenoxyphenyl)propan-1-one is sourced from PubChem (CID 43326953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).