(1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate

C19H20O5 — CID 55316588

IUPAC(1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OCCC(=O)OC(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O5/c1-14(19(21)15-6-4-3-5-7-15)24-18(20)12-13-23-17-10-8-16(22-2)9-11-17/h3-11,14H,12-13H2,1-2H3
InChIKeyCXIPBLLOJWRPNE-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.28
Rot. Bonds8

About (1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate

(1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate (PubChem CID 55316588) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate
PubChem CID55316588
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OCCC(=O)OC(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O5/c1-14(19(21)15-6-4-3-5-7-15)24-18(20)12-13-23-17-10-8-16(22-2)9-11-17/h3-11,14H,12-13H2,1-2H3
InChIKeyCXIPBLLOJWRPNE-UHFFFAOYSA-N
XLogP3.28
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate
CID 55317467
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4065981
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(4-methoxyphenoxy)propanoate
CID 46810352
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821392
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7729395
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
CID 55316789
(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
CID 55318248
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855511
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate
CID 46789085
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 55312601
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 46810368

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate (CID 55316588) is (1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate is COc1ccc(OCCC(=O)OC(C)C(=O)c2ccccc2)cc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate?
The InChIKey is CXIPBLLOJWRPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-14(19(21)15-6-4-3-5-7-15)24-18(20)12-13-23-17-10-8-16(22-2)9-11-17/h3-11,14H,12-13H2,1-2H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate?
(1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate has a molecular weight of 328.36 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 55316588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).