(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one

C15H12BrFO2 — CID 94185693

IUPAC(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
SMILESC[C@@H](Oc1ccc(F)cc1Br)C(=O)c1ccccc1
InChIInChI=1S/C15H12BrFO2/c1-10(15(18)11-5-3-2-4-6-11)19-14-8-7-12(17)9-13(14)16/h2-10H,1H3/t10-/m1/s1
InChIKeyZCSUBKNEFARLHO-SNVBAGLBSA-N
MW323.16 g/mol
LogP4.24
Rot. Bonds4

About (2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one

(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one (PubChem CID 94185693) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is (2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
PubChem CID94185693
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
SMILESC[C@@H](Oc1ccc(F)cc1Br)C(=O)c1ccccc1
InChIInChI=1S/C15H12BrFO2/c1-10(15(18)11-5-3-2-4-6-11)19-14-8-7-12(17)9-13(14)16/h2-10H,1H3/t10-/m1/s1
InChIKeyZCSUBKNEFARLHO-SNVBAGLBSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenoxy)-1-phenylpropan-1-one
CID 43218886
2-(2-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60626851
2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide
CID 112786458
2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 42990409
2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one
CID 114674200
(1-oxo-1-phenylpropan-2-yl) 2-bromo-5-fluorobenzoate
CID 55404957
2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63567423
(2R)-2-(2-bromo-4-fluorophenoxy)-N-(2-chlorophenyl)propanamide
CID 8728698
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 78873922
1-(azepan-1-yl)-2-(2-bromo-4-fluorophenoxy)propan-1-one
CID 43086571
2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one
CID 60626928

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one?
The IUPAC name of (2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one (CID 94185693) is (2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one.
What is the SMILES notation for (2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one?
The canonical SMILES for (2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one is C[C@@H](Oc1ccc(F)cc1Br)C(=O)c1ccccc1.
What is the InChIKey of (2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one?
The InChIKey is ZCSUBKNEFARLHO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H12BrFO2/c1-10(15(18)11-5-3-2-4-6-11)19-14-8-7-12(17)9-13(14)16/h2-10H,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one?
(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one has a molecular weight of 323.16 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one is sourced from PubChem (CID 94185693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).