(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate

C20H22O5 — CID 35968055

IUPAC(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)[C@H](C)Oc1ccc(C)cc1
InChIInChI=1S/C20H22O5/c1-13-5-8-18(9-6-13)25-15(3)20(22)24-12-17-11-16(14(2)21)7-10-19(17)23-4/h5-11,15H,12H2,1-4H3/t15-/m0/s1
InChIKeyRDXKCWTXPWDPSL-HNNXBMFYSA-N
MW342.39 g/mol
LogP3.72
Rot. Bonds7

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

(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate (PubChem CID 35968055) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate
PubChem CID35968055
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)[C@H](C)Oc1ccc(C)cc1
InChIInChI=1S/C20H22O5/c1-13-5-8-18(9-6-13)25-15(3)20(22)24-12-17-11-16(14(2)21)7-10-19(17)23-4/h5-11,15H,12H2,1-4H3/t15-/m0/s1
InChIKeyRDXKCWTXPWDPSL-HNNXBMFYSA-N
XLogP3.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.72
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-cyanophenoxy)propanoate
CID 7983612
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862373
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568431
1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 43414176
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
(5-bromo-2-methoxyphenyl)methyl (2S)-2-(4-cyanophenoxy)propanoate
CID 8510311
(5-acetyl-2-methoxyphenyl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 22748001
1-[3-(butoxymethyl)-4-methoxyphenyl]ethanone
CID 43789546
(5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678507
(5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate
CID 7429918

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate (CID 35968055) is (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate is COc1ccc(C(C)=O)cc1COC(=O)[C@H](C)Oc1ccc(C)cc1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate?
The InChIKey is RDXKCWTXPWDPSL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22O5/c1-13-5-8-18(9-6-13)25-15(3)20(22)24-12-17-11-16(14(2)21)7-10-19(17)23-4/h5-11,15H,12H2,1-4H3/t15-/m0/s1.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate?
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate has a molecular weight of 342.39 g/mol, XLogP of 3.72, 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-(4-methylphenoxy)propanoate is sourced from PubChem (CID 35968055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).