(2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one

C15H12BrClO2 — CID 95356280

IUPAC(2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one
SMILESC[C@H](Oc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12BrClO2/c1-10(19-14-4-2-3-12(16)9-14)15(18)11-5-7-13(17)8-6-11/h2-10H,1H3/t10-/m0/s1
InChIKeyJEDFVGYKTXZOQP-JTQLQIEISA-N
MW339.62 g/mol
LogP4.75
Rot. Bonds4

About (2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one

(2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one (PubChem CID 95356280) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is (2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one
PubChem CID95356280
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name(2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one
SMILESC[C@H](Oc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12BrClO2/c1-10(19-14-4-2-3-12(16)9-14)15(18)11-5-7-13(17)8-6-11/h2-10H,1H3/t10-/m0/s1
InChIKeyJEDFVGYKTXZOQP-JTQLQIEISA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one
CID 60625693
2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60626516
1-(4-chlorophenyl)-2-(3-fluorophenoxy)propan-1-one
CID 43413409
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 43412314
2-(4-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60625305
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 9371143
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645063
4-chloro-N-[3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645135
(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 891501
2-(3-bromophenoxy)-N,N-dimethylpropanamide
CID 43085551

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one?
The IUPAC name of (2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one (CID 95356280) is (2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one.
What is the SMILES notation for (2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one?
The canonical SMILES for (2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one is C[C@H](Oc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one?
The InChIKey is JEDFVGYKTXZOQP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-10(19-14-4-2-3-12(16)9-14)15(18)11-5-7-13(17)8-6-11/h2-10H,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one?
(2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one has a molecular weight of 339.62 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one is sourced from PubChem (CID 95356280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).