[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate

C18H18O5 — CID 4065981

IUPAC[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
SMILESCOc1ccc(C(=O)C(C)OC(=O)COc2ccccc2)cc1
InChIInChI=1S/C18H18O5/c1-13(18(20)14-8-10-15(21-2)11-9-14)23-17(19)12-22-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3
InChIKeyLWUIQCZSMHUUJY-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.89
Rot. Bonds7

About [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate

[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate (PubChem CID 4065981) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
PubChem CID4065981
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
SMILESCOc1ccc(C(=O)C(C)OC(=O)COc2ccccc2)cc1
InChIInChI=1S/C18H18O5/c1-13(18(20)14-8-10-15(21-2)11-9-14)23-17(19)12-22-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3
InChIKeyLWUIQCZSMHUUJY-UHFFFAOYSA-N
XLogP2.89
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821392
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855511
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 7970559
(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
CID 55318248
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
CID 55316789
(1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate
CID 55316588
[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate
CID 42984082
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7696924
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8850321
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839402
propan-2-yl 2-phenoxyacetate
CID 11367560

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate?
The IUPAC name of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate (CID 4065981) is [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate.
What is the SMILES notation for [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate?
The canonical SMILES for [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate is COc1ccc(C(=O)C(C)OC(=O)COc2ccccc2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate?
The InChIKey is LWUIQCZSMHUUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-13(18(20)14-8-10-15(21-2)11-9-14)23-17(19)12-22-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate?
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate has a molecular weight of 314.34 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate is sourced from PubChem (CID 4065981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).