2-ethoxyethyl 3-(4-ethylphenyl)propanoate

C15H22O3 — CID 78832078

IUPAC2-ethoxyethyl 3-(4-ethylphenyl)propanoate
SMILESCCOCCOC(=O)CCc1ccc(CC)cc1
InChIInChI=1S/C15H22O3/c1-3-13-5-7-14(8-6-13)9-10-15(16)18-12-11-17-4-2/h5-8H,3-4,9-12H2,1-2H3
InChIKeyAMMLNJMOJXPFMA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.76
Rot. Bonds8

About 2-ethoxyethyl 3-(4-ethylphenyl)propanoate

2-ethoxyethyl 3-(4-ethylphenyl)propanoate (PubChem CID 78832078) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-ethoxyethyl 3-(4-ethylphenyl)propanoate.

Molecular Properties

Compound Name2-ethoxyethyl 3-(4-ethylphenyl)propanoate
PubChem CID78832078
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-ethoxyethyl 3-(4-ethylphenyl)propanoate
SMILESCCOCCOC(=O)CCc1ccc(CC)cc1
InChIInChI=1S/C15H22O3/c1-3-13-5-7-14(8-6-13)9-10-15(16)18-12-11-17-4-2/h5-8H,3-4,9-12H2,1-2H3
InChIKeyAMMLNJMOJXPFMA-UHFFFAOYSA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propoxyethyl 3-(4-aminophenyl)propanoate
CID 63687090
1-(2-ethoxyethyl)-4-ethylbenzene
CID 70640844
N-(3-ethoxypropyl)-3-(4-ethylphenyl)propanamide
CID 78794718
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
propan-2-yl 3-(4-ethylphenyl)propanoate
CID 112722960
3-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 115601483
2-(2-hydroxyethoxy)ethyl 3-(4-aminophenyl)propanoate
CID 61316404
ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride
CID 162639918
butyl 3-(4-chlorophenyl)propanoate
CID 24808099
[3-(2-ethoxyethoxy)-3-oxopropyl] 4-iodobenzoate
CID 125468929
3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate
CID 103403075
2-ethoxyethyl 4-oxopentanoate
CID 22556205

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 3-(4-ethylphenyl)propanoate?
The IUPAC name of 2-ethoxyethyl 3-(4-ethylphenyl)propanoate (CID 78832078) is 2-ethoxyethyl 3-(4-ethylphenyl)propanoate.
What is the SMILES notation for 2-ethoxyethyl 3-(4-ethylphenyl)propanoate?
The canonical SMILES for 2-ethoxyethyl 3-(4-ethylphenyl)propanoate is CCOCCOC(=O)CCc1ccc(CC)cc1.
What is the InChIKey of 2-ethoxyethyl 3-(4-ethylphenyl)propanoate?
The InChIKey is AMMLNJMOJXPFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-13-5-7-14(8-6-13)9-10-15(16)18-12-11-17-4-2/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 2-ethoxyethyl 3-(4-ethylphenyl)propanoate?
2-ethoxyethyl 3-(4-ethylphenyl)propanoate has a molecular weight of 250.34 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 3-(4-ethylphenyl)propanoate is sourced from PubChem (CID 78832078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).