[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate

C21H24O4 — CID 8011572

IUPAC[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@@H](C)C(=O)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C21H24O4/c1-13-10-15(3)19(11-14(13)2)21(23)16(4)25-20(22)12-17-6-8-18(24-5)9-7-17/h6-11,16H,12H2,1-5H3/t16-/m0/s1
InChIKeyGOVXTPOTRMDGGW-INIZCTEOSA-N
MW340.42 g/mol
LogP3.98
Rot. Bonds6

About [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate

[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate (PubChem CID 8011572) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate
PubChem CID8011572
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@@H](C)C(=O)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C21H24O4/c1-13-10-15(3)19(11-14(13)2)21(23)16(4)25-20(22)12-17-6-8-18(24-5)9-7-17/h6-11,16H,12H2,1-5H3/t16-/m0/s1
InChIKeyGOVXTPOTRMDGGW-INIZCTEOSA-N
XLogP3.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968901
[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 40747138
[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738273
[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013700
[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate
CID 55459667
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766727
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9060989
[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 51874762
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 8011674
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705021
1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate
CID 86053966
[(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 7753000

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate (CID 8011572) is [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)O[C@@H](C)C(=O)c2cc(C)c(C)cc2C)cc1.
What is the InChIKey of [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate?
The InChIKey is GOVXTPOTRMDGGW-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24O4/c1-13-10-15(3)19(11-14(13)2)21(23)16(4)25-20(22)12-17-6-8-18(24-5)9-7-17/h6-11,16H,12H2,1-5H3/t16-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate?
[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate has a molecular weight of 340.42 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 8011572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).