2-(2-methoxyethoxy)ethyl 3-phenylpropanoate

C14H20O4 — CID 70881793

IUPAC2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
SMILESCOCCOCCOC(=O)CCc1ccccc1
InChIInChI=1S/C14H20O4/c1-16-9-10-17-11-12-18-14(15)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyBVNAXWVSZLWDKC-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.83
Rot. Bonds9

About 2-(2-methoxyethoxy)ethyl 3-phenylpropanoate

2-(2-methoxyethoxy)ethyl 3-phenylpropanoate (PubChem CID 70881793) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 3-phenylpropanoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
PubChem CID70881793
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
SMILESCOCCOCCOC(=O)CCc1ccccc1
InChIInChI=1S/C14H20O4/c1-16-9-10-17-11-12-18-14(15)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyBVNAXWVSZLWDKC-UHFFFAOYSA-N
XLogP1.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] butanedioate
CID 71416841
6-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] hexanedioate;bis[2-(2-methoxyethoxy)ethyl] hexanedioate;dibenzyl hexanedioate
CID 158933563
2-phenylethyl 4-methoxybutanoate
CID 78885647
bis[2-[2-(2-phenylethoxy)ethoxy]ethyl] hexanedioate
CID 69172633
3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate
CID 103403075
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
2-bromoethyl 3-phenylpropanoate
CID 101450584
2-chloroethyl 3-phenylpropanoate
CID 13096483
(4-methoxy-2-methylbutyl) 3-phenylpropanoate
CID 91702047
2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate
CID 158754091
2-phenylethyl 3-[3-[3-oxo-3-(2-phenylethoxy)propyl]phenyl]propanoate
CID 162059275
4-O-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl] 1-O-(3-phenylmethoxypropyl) butanedioate
CID 88976024

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 3-phenylpropanoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 3-phenylpropanoate (CID 70881793) is 2-(2-methoxyethoxy)ethyl 3-phenylpropanoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 3-phenylpropanoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 3-phenylpropanoate is COCCOCCOC(=O)CCc1ccccc1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 3-phenylpropanoate?
The InChIKey is BVNAXWVSZLWDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-16-9-10-17-11-12-18-14(15)8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 3-phenylpropanoate?
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate has a molecular weight of 252.31 g/mol, XLogP of 1.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 3-phenylpropanoate is sourced from PubChem (CID 70881793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).