(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one

C15H13ClO2 — CID 94165642

IUPAC(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C15H13ClO2/c1-11(15(17)12-5-3-2-4-6-12)18-14-9-7-13(16)8-10-14/h2-11H,1H3/t11-/m0/s1
InChIKeyJHWLWNBPYBVTLA-NSHDSACASA-N
MW260.72 g/mol
LogP3.99
Rot. Bonds4

About (2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one

(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one (PubChem CID 94165642) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
PubChem CID94165642
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C15H13ClO2/c1-11(15(17)12-5-3-2-4-6-12)18-14-9-7-13(16)8-10-14/h2-11H,1H3/t11-/m0/s1
InChIKeyJHWLWNBPYBVTLA-NSHDSACASA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one
CID 43411936
(1-oxo-1-phenylpropan-2-yl) 2-[4-(4-chlorophenoxy)phenoxy]propanoate
CID 70588424
2-(4-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60625305
2,2-bis(4-chlorophenoxy)-1-phenylethanone
CID 54253239
2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60626516
1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one
CID 60624061
1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 43412314
(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 891501
(2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 95356280
1-(4-chlorophenyl)-2-(3-fluorophenoxy)propan-1-one
CID 43413409
1-[4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-hydroxyurea
CID 134113078
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one (CID 94165642) is (2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one is C[C@H](Oc1ccc(Cl)cc1)C(=O)c1ccccc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one?
The InChIKey is JHWLWNBPYBVTLA-NSHDSACASA-N. The full InChI is InChI=1S/C15H13ClO2/c1-11(15(17)12-5-3-2-4-6-12)18-14-9-7-13(16)8-10-14/h2-11H,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one?
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one has a molecular weight of 260.72 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one is sourced from PubChem (CID 94165642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).