propyl 3-ethoxy-2-phenylpropanoate

C14H20O3 — CID 138629515

IUPACpropyl 3-ethoxy-2-phenylpropanoate
SMILESCCCOC(=O)C(COCC)c1ccccc1
InChIInChI=1S/C14H20O3/c1-3-10-17-14(15)13(11-16-4-2)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyBGGVUSUJMDAKJD-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.76
Rot. Bonds7

About propyl 3-ethoxy-2-phenylpropanoate

propyl 3-ethoxy-2-phenylpropanoate (PubChem CID 138629515) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is propyl 3-ethoxy-2-phenylpropanoate.

Molecular Properties

Compound Namepropyl 3-ethoxy-2-phenylpropanoate
PubChem CID138629515
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namepropyl 3-ethoxy-2-phenylpropanoate
SMILESCCCOC(=O)C(COCC)c1ccccc1
InChIInChI=1S/C14H20O3/c1-3-10-17-14(15)13(11-16-4-2)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyBGGVUSUJMDAKJD-UHFFFAOYSA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

octyl 3-methoxy-2-phenylpropanoate
CID 138629513
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661
propyl (2R)-2-phenylpropanoate
CID 14926551
ethyl 2-phenylbutanoate;sulfane
CID 174662373
(3R)-4-ethoxy-4-oxo-3-phenylbutanoic acid
CID 2276730
ethyl 5-oxo-2-phenylhexanoate
CID 15445591
nonyl 2-phenylbutanoate
CID 91710335
hexyl (2R)-2-phenylbutanoate
CID 10729236
2-ethoxyethyl 2-amino-2-phenylacetate
CID 61278418
butyl 2-phenyltetradecanoate
CID 70564720
heptyl 2-phenylhexanoate
CID 67351180
(2-ethoxy-1-propoxyethyl)benzene
CID 54522303

Frequently Asked Questions

What is the IUPAC name of propyl 3-ethoxy-2-phenylpropanoate?
The IUPAC name of propyl 3-ethoxy-2-phenylpropanoate (CID 138629515) is propyl 3-ethoxy-2-phenylpropanoate.
What is the SMILES notation for propyl 3-ethoxy-2-phenylpropanoate?
The canonical SMILES for propyl 3-ethoxy-2-phenylpropanoate is CCCOC(=O)C(COCC)c1ccccc1.
What is the InChIKey of propyl 3-ethoxy-2-phenylpropanoate?
The InChIKey is BGGVUSUJMDAKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-10-17-14(15)13(11-16-4-2)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3.
What are the key properties of propyl 3-ethoxy-2-phenylpropanoate?
propyl 3-ethoxy-2-phenylpropanoate has a molecular weight of 236.31 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-ethoxy-2-phenylpropanoate is sourced from PubChem (CID 138629515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).