ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate

C15H22O5 — CID 122582431

IUPACethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate
SMILESCCOC(=O)c1cccc(CCOCCOCCO)c1
InChIInChI=1S/C15H22O5/c1-2-20-15(17)14-5-3-4-13(12-14)6-8-18-10-11-19-9-7-16/h3-5,12,16H,2,6-11H2,1H3
InChIKeyWSGKIKOIDBYGKU-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.43
Rot. Bonds10

About ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate

ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate (PubChem CID 122582431) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate.

Molecular Properties

Compound Nameethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate
PubChem CID122582431
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Nameethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate
SMILESCCOC(=O)c1cccc(CCOCCOCCO)c1
InChIInChI=1S/C15H22O5/c1-2-20-15(17)14-5-3-4-13(12-14)6-8-18-10-11-19-9-7-16/h3-5,12,16H,2,6-11H2,1H3
InChIKeyWSGKIKOIDBYGKU-UHFFFAOYSA-N
XLogP1.43
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(aminomethyl)benzoate
CID 15079215
diethyl benzene-1,3-dicarboxylate
CID 12491
propyl 3-(3-hydroxypropyl)benzoate
CID 10443536
2-decoxyethyl 3-butylbenzoate
CID 140608717
ethyl 3-(4-oxobutyl)benzoate
CID 23468111
ethyl acetate;ethyl 3-butylbenzoate
CID 158218929
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-(aminomethyl)benzoate
CID 104563130
ethyl 3-[(dimethylamino)methyl]benzoate
CID 118181907
ethyl 3-[2-(ethylamino)ethoxymethyl]benzoate
CID 82353102
2-(2-hydroxyethoxy)ethyl 4-amino-3-methylbenzoate
CID 61321259
ethyl 3-[(2-amino-2-methylpropoxy)methyl]benzoate
CID 82353225
methyl 3-propylbenzoate
CID 12861009

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate?
The IUPAC name of ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate (CID 122582431) is ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate.
What is the SMILES notation for ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate?
The canonical SMILES for ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate is CCOC(=O)c1cccc(CCOCCOCCO)c1.
What is the InChIKey of ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate?
The InChIKey is WSGKIKOIDBYGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-2-20-15(17)14-5-3-4-13(12-14)6-8-18-10-11-19-9-7-16/h3-5,12,16H,2,6-11H2,1H3.
What are the key properties of ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate?
ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate has a molecular weight of 282.34 g/mol, XLogP of 1.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate is sourced from PubChem (CID 122582431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).