[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate

C19H18Cl2O5 — CID 7872946

IUPAC[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
SMILESCOc1ccc(C(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H18Cl2O5/c1-11(18(22)13-4-7-15(24-3)8-5-13)26-19(23)12(2)25-17-9-6-14(20)10-16(17)21/h4-12H,1-3H3/t11-,12+/m1/s1
InChIKeyOBTHKGFWLGMOEQ-NEPJUHHUSA-N
MW397.25 g/mol
LogP4.58
Rot. Bonds7

About [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate

[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate (PubChem CID 7872946) has the molecular formula C19H18Cl2O5 and a molecular weight of 397.25 g/mol. Its IUPAC name is [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
PubChem CID7872946
Molecular FormulaC19H18Cl2O5
Molecular Weight397.25 g/mol
Exact Mass396.05
IUPAC Name[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
SMILESCOc1ccc(C(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H18Cl2O5/c1-11(18(22)13-4-7-15(24-3)8-5-13)26-19(23)12(2)25-17-9-6-14(20)10-16(17)21/h4-12H,1-3H3/t11-,12+/m1/s1
InChIKeyOBTHKGFWLGMOEQ-NEPJUHHUSA-N
XLogP4.58
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.25
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate with MolForge

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 60624535
N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide
CID 1104980
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862498
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8620507
2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60625931
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 8837826
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 7724269
(2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate
CID 4876645
propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
CID 12767799
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862559

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate (CID 7872946) is [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate is COc1ccc(C(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is OBTHKGFWLGMOEQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C19H18Cl2O5/c1-11(18(22)13-4-7-15(24-3)8-5-13)26-19(23)12(2)25-17-9-6-14(20)10-16(17)21/h4-12H,1-3H3/t11-,12+/m1/s1.
What are the key properties of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate?
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 397.25 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 7872946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).