benzyl 2-(2-acetylphenoxy)propanoate

C18H18O4 — CID 82312028

IUPACbenzyl 2-(2-acetylphenoxy)propanoate
SMILESCC(=O)c1ccccc1OC(C)C(=O)OCc1ccccc1
InChIInChI=1S/C18H18O4/c1-13(19)16-10-6-7-11-17(16)22-14(2)18(20)21-12-15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3
InChIKeyZJPCTYFLDVZOJP-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.40
Rot. Bonds6

About benzyl 2-(2-acetylphenoxy)propanoate

benzyl 2-(2-acetylphenoxy)propanoate (PubChem CID 82312028) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is benzyl 2-(2-acetylphenoxy)propanoate.

Molecular Properties

Compound Namebenzyl 2-(2-acetylphenoxy)propanoate
PubChem CID82312028
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Namebenzyl 2-(2-acetylphenoxy)propanoate
SMILESCC(=O)c1ccccc1OC(C)C(=O)OCc1ccccc1
InChIInChI=1S/C18H18O4/c1-13(19)16-10-6-7-11-17(16)22-14(2)18(20)21-12-15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3
InChIKeyZJPCTYFLDVZOJP-UHFFFAOYSA-N
XLogP3.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 2-(2-acetylphenoxy)propanoate
CID 82312033
propyl 2-(2-acetylphenoxy)propanoate
CID 82312026
3-(2-acetylphenoxy)butan-2-one
CID 82312052
butan-2-yl 2-(2-acetylphenoxy)propanoate
CID 82312031
[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] 2-acetyloxypropanoate
CID 126688958
[(2S)-1-oxo-1-[(2S)-1-oxo-1-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-acetyloxypropanoate
CID 126688929
benzyl (2R)-2-methyl-3-oxobutanoate
CID 101065434
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl 2-(difluoromethoxy)benzoate
CID 55327292
[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 126705764
benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate
CID 10573011
benzyl 2-acetyl-3-oxobutanoate
CID 15496135

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-acetylphenoxy)propanoate?
The IUPAC name of benzyl 2-(2-acetylphenoxy)propanoate (CID 82312028) is benzyl 2-(2-acetylphenoxy)propanoate.
What is the SMILES notation for benzyl 2-(2-acetylphenoxy)propanoate?
The canonical SMILES for benzyl 2-(2-acetylphenoxy)propanoate is CC(=O)c1ccccc1OC(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2-acetylphenoxy)propanoate?
The InChIKey is ZJPCTYFLDVZOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-13(19)16-10-6-7-11-17(16)22-14(2)18(20)21-12-15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3.
What are the key properties of benzyl 2-(2-acetylphenoxy)propanoate?
benzyl 2-(2-acetylphenoxy)propanoate has a molecular weight of 298.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-acetylphenoxy)propanoate is sourced from PubChem (CID 82312028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).