[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate

C19H20O5 — CID 55385903

IUPAC[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)OC(C)C(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C19H20O5/c1-13(18(20)15-7-9-17(23-3)10-8-15)24-19(21)16-6-4-5-14(11-16)12-22-2/h4-11,13H,12H2,1-3H3
InChIKeyQLQJJAMAWNETTN-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.27
Rot. Bonds7

About [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate

[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate (PubChem CID 55385903) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
PubChem CID55385903
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)OC(C)C(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C19H20O5/c1-13(18(20)15-7-9-17(23-3)10-8-15)24-19(21)16-6-4-5-14(11-16)12-22-2/h4-11,13H,12H2,1-3H3
InChIKeyQLQJJAMAWNETTN-UHFFFAOYSA-N
XLogP3.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate with MolForge

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Related Compounds

[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065153
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065044
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8582611
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-iodobenzoate
CID 8011111
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
[1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 55392843
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)benzoate
CID 7666906
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 7777198
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 7540141
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065132
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8998609
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065135

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
The IUPAC name of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate (CID 55385903) is [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate.
What is the SMILES notation for [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
The canonical SMILES for [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate is COCc1cccc(C(=O)OC(C)C(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
The InChIKey is QLQJJAMAWNETTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-13(18(20)15-7-9-17(23-3)10-8-15)24-19(21)16-6-4-5-14(11-16)12-22-2/h4-11,13H,12H2,1-3H3.
What are the key properties of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate has a molecular weight of 328.36 g/mol, XLogP of 3.27, 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] 3-(methoxymethyl)benzoate is sourced from PubChem (CID 55385903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).