2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate

C15H19NO5 — CID 166304182

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate
SMILESN#Cc1cccc(CC(=O)OCCOCCOCCO)c1
InChIInChI=1S/C15H19NO5/c16-12-14-3-1-2-13(10-14)11-15(18)21-9-8-20-7-6-19-5-4-17/h1-3,10,17H,4-9,11H2
InChIKeyLVAMNNWMDNVCJI-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.67
Rot. Bonds10

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate (PubChem CID 166304182) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate
PubChem CID166304182
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate
SMILESN#Cc1cccc(CC(=O)OCCOCCOCCO)c1
InChIInChI=1S/C15H19NO5/c16-12-14-3-1-2-13(10-14)11-15(18)21-9-8-20-7-6-19-5-4-17/h1-3,10,17H,4-9,11H2
InChIKeyLVAMNNWMDNVCJI-UHFFFAOYSA-N
XLogP0.67
TPSA88.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-cyanophenyl)methyl 2-(3-aminophenyl)acetate
CID 62499042
3-(2-hydroxyethyl)benzonitrile
CID 14926727
3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzonitrile
CID 103992538
(3-cyanophenyl)methyl 2-(3,4-dimethoxyphenyl)acetate
CID 7766167
propyl 2-[(3-cyanophenyl)methylsulfanyl]acetate
CID 82177663
5-hydroxypentyl 2-(3-aminophenyl)acetate
CID 62500174
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]benzonitrile
CID 104563017
4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile
CID 10572027
(4-cyano-2-fluorophenyl)methyl 2-(3-aminophenyl)acetate
CID 62498393
3-(3-cyanophenyl)-N-methylpropanamide
CID 118907091
2-(2-chloroethoxy)ethyl N-(3-cyanophenyl)carbamate
CID 103970635
3-[[3-(2-methoxyethoxy)propyl-methylamino]methyl]benzonitrile
CID 103409783

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate (CID 166304182) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate is N#Cc1cccc(CC(=O)OCCOCCOCCO)c1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate?
The InChIKey is LVAMNNWMDNVCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c16-12-14-3-1-2-13(10-14)11-15(18)21-9-8-20-7-6-19-5-4-17/h1-3,10,17H,4-9,11H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate has a molecular weight of 293.32 g/mol, XLogP of 0.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate is sourced from PubChem (CID 166304182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).