2-phenylethyl 2-(3-acetylphenoxy)acetate

C18H18O4 — CID 82311984

IUPAC2-phenylethyl 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCCc2ccccc2)c1
InChIInChI=1S/C18H18O4/c1-14(19)16-8-5-9-17(12-16)22-13-18(20)21-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3
InChIKeyNFGBMHQIXSCCRW-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.05
Rot. Bonds7

About 2-phenylethyl 2-(3-acetylphenoxy)acetate

2-phenylethyl 2-(3-acetylphenoxy)acetate (PubChem CID 82311984) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-phenylethyl 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name2-phenylethyl 2-(3-acetylphenoxy)acetate
PubChem CID82311984
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name2-phenylethyl 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCCc2ccccc2)c1
InChIInChI=1S/C18H18O4/c1-14(19)16-8-5-9-17(12-16)22-13-18(20)21-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3
InChIKeyNFGBMHQIXSCCRW-UHFFFAOYSA-N
XLogP3.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666
1-(3-acetylphenoxy)-3-phenylpropan-2-one
CID 62030816
3-(2-phenylethoxy)benzamide
CID 17135006
2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide
CID 120884790
2-phenylethyl 3-[2-(3,4-dimethylphenoxy)acetyl]oxybenzoate
CID 17162272
3-phenylpropyl 2-(3-aminophenoxy)acetate
CID 61321902
[2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8007912
1-[3-(3-aminopropoxy)phenyl]ethanone
CID 82146512
[3-(2-phenylethoxycarbonyl)phenyl] 3-(2-phenoxyethoxy)benzoate
CID 17162297
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate
CID 8840794
1-[3-(3-chloropropoxy)phenyl]ethanone
CID 14348752

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-(3-acetylphenoxy)acetate?
The IUPAC name of 2-phenylethyl 2-(3-acetylphenoxy)acetate (CID 82311984) is 2-phenylethyl 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for 2-phenylethyl 2-(3-acetylphenoxy)acetate?
The canonical SMILES for 2-phenylethyl 2-(3-acetylphenoxy)acetate is CC(=O)c1cccc(OCC(=O)OCCc2ccccc2)c1.
What is the InChIKey of 2-phenylethyl 2-(3-acetylphenoxy)acetate?
The InChIKey is NFGBMHQIXSCCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-14(19)16-8-5-9-17(12-16)22-13-18(20)21-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 2-phenylethyl 2-(3-acetylphenoxy)acetate?
2-phenylethyl 2-(3-acetylphenoxy)acetate has a molecular weight of 298.34 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 82311984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).