phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate

C17H14Cl2O4 — CID 1336816

IUPACphenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C17H14Cl2O4/c1-11(23-16-8-7-13(18)9-14(16)19)17(21)22-10-15(20)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3/t11-/m1/s1
InChIKeyBWRLNIHXDZOJCJ-LLVKDONJSA-N
MW353.20 g/mol
LogP4.19
Rot. Bonds6

About phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate

phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate (PubChem CID 1336816) has the molecular formula C17H14Cl2O4 and a molecular weight of 353.20 g/mol. Its IUPAC name is phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Namephenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate
PubChem CID1336816
Molecular FormulaC17H14Cl2O4
Molecular Weight353.20 g/mol
Exact Mass352.03
IUPAC Namephenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C17H14Cl2O4/c1-11(23-16-8-7-13(18)9-14(16)19)17(21)22-10-15(20)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3/t11-/m1/s1
InChIKeyBWRLNIHXDZOJCJ-LLVKDONJSA-N
XLogP4.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-2-oxoethyl) (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862593
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 46818316
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872991
[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862401
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862689
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862601
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
[2-(4-chloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 2927512
[2-(4-chlorophenyl)-2-oxoethyl] 2-naphthalen-1-yloxypropanoate
CID 11834503
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 1322745
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872987

Frequently Asked Questions

What is the IUPAC name of phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate (CID 1336816) is phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is BWRLNIHXDZOJCJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H14Cl2O4/c1-11(23-16-8-7-13(18)9-14(16)19)17(21)22-10-15(20)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3/t11-/m1/s1.
What are the key properties of phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate?
phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 353.20 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 1336816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).