ethyl 2-(3-phenylpropanoyloxy)propanoate

C14H18O4 — CID 13096485

IUPACethyl 2-(3-phenylpropanoyloxy)propanoate
SMILESCCOC(=O)C(C)OC(=O)CCc1ccccc1
InChIInChI=1S/C14H18O4/c1-3-17-14(16)11(2)18-13(15)10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChIKeyAENSSHFGGGPWJI-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.11
Rot. Bonds6

About ethyl 2-(3-phenylpropanoyloxy)propanoate

ethyl 2-(3-phenylpropanoyloxy)propanoate (PubChem CID 13096485) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is ethyl 2-(3-phenylpropanoyloxy)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-phenylpropanoyloxy)propanoate
PubChem CID13096485
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Nameethyl 2-(3-phenylpropanoyloxy)propanoate
SMILESCCOC(=O)C(C)OC(=O)CCc1ccccc1
InChIInChI=1S/C14H18O4/c1-3-17-14(16)11(2)18-13(15)10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChIKeyAENSSHFGGGPWJI-UHFFFAOYSA-N
XLogP2.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butan-2-yl 3-phenylpropanoate
CID 562005
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
[(1S)-1-phenylethyl] 3-phenylpropanoate
CID 102211488
[(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate
CID 51514544
[(2S)-1-oxo-1-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl] octadecanoate
CID 140818590
ethyl 3-phenylpropanoate;propanal
CID 90891703
dichloromethyl 3-phenylpropanoate
CID 174396202
diethyl 2-[3-(4-hydroxyphenyl)propanoyloxy]propanedioate
CID 14748412
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 16609295
propanoyl 3-phenylpropanoate
CID 19437711
tetradecan-4-yl 3-phenylpropanoate
CID 591386
propan-2-yl 3-phenylpropaneperoxoate
CID 150450649

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-phenylpropanoyloxy)propanoate?
The IUPAC name of ethyl 2-(3-phenylpropanoyloxy)propanoate (CID 13096485) is ethyl 2-(3-phenylpropanoyloxy)propanoate.
What is the SMILES notation for ethyl 2-(3-phenylpropanoyloxy)propanoate?
The canonical SMILES for ethyl 2-(3-phenylpropanoyloxy)propanoate is CCOC(=O)C(C)OC(=O)CCc1ccccc1.
What is the InChIKey of ethyl 2-(3-phenylpropanoyloxy)propanoate?
The InChIKey is AENSSHFGGGPWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-17-14(16)11(2)18-13(15)10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3.
What are the key properties of ethyl 2-(3-phenylpropanoyloxy)propanoate?
ethyl 2-(3-phenylpropanoyloxy)propanoate has a molecular weight of 250.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-phenylpropanoyloxy)propanoate is sourced from PubChem (CID 13096485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).