(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate

C19H18Cl2O5 — CID 7862373

IUPAC(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2O5/c1-11(22)13-4-6-17(24-3)14(8-13)10-25-19(23)12(2)26-18-7-5-15(20)9-16(18)21/h4-9,12H,10H2,1-3H3/t12-/m0/s1
InChIKeyKUFOEJMUMFNWLU-LBPRGKRZSA-N
MW397.25 g/mol
LogP4.72
Rot. Bonds7

About (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate

(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate (PubChem CID 7862373) has the molecular formula C19H18Cl2O5 and a molecular weight of 397.25 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate
PubChem CID7862373
Molecular FormulaC19H18Cl2O5
Molecular Weight397.25 g/mol
Exact Mass396.05
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2O5/c1-11(22)13-4-6-17(24-3)14(8-13)10-25-19(23)12(2)26-18-7-5-15(20)9-16(18)21/h4-9,12H,10H2,1-3H3/t12-/m0/s1
InChIKeyKUFOEJMUMFNWLU-LBPRGKRZSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 2-(4-methylphenoxy)propanoate
CID 42903545
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate
CID 35968055
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-cyanophenoxy)propanoate
CID 7983612
(5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate
CID 2602816
(5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate
CID 7779381
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862601
(2-amino-2-oxoethyl) (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862593
(5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate
CID 2693177
(2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate
CID 4876645
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone
CID 112788064
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,4-dichlorophenoxy)propanoate
CID 55393660

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate (CID 7862373) is (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate is COc1ccc(C(C)=O)cc1COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is KUFOEJMUMFNWLU-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18Cl2O5/c1-11(22)13-4-6-17(24-3)14(8-13)10-25-19(23)12(2)26-18-7-5-15(20)9-16(18)21/h4-9,12H,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate?
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 397.25 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 7862373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).