2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate

C15H22O6 — CID 86171839

IUPAC2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
SMILESCCOCCOCCOCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H22O6/c1-2-18-7-8-19-9-10-20-11-12-21-15(17)13-3-5-14(16)6-4-13/h3-6,16H,2,7-12H2,1H3
InChIKeyGMLYALYBJISCDJ-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.62
Rot. Bonds11

About 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate

2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate (PubChem CID 86171839) has the molecular formula C15H22O6 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
PubChem CID86171839
Molecular FormulaC15H22O6
Molecular Weight298.33 g/mol
Exact Mass298.14
IUPAC Name2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
SMILESCCOCCOCCOCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H22O6/c1-2-18-7-8-19-9-10-20-11-12-21-15(17)13-3-5-14(16)6-4-13/h3-6,16H,2,7-12H2,1H3
InChIKeyGMLYALYBJISCDJ-UHFFFAOYSA-N
XLogP1.62
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.62
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

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631965
2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631984
propyl 4-hydroxybenzoate
CID 66683808
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate
CID 118331665
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
4-(4-hexoxybutoxy)butyl 4-hydroxybenzoate
CID 54410325
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
2-[2-[2-[2-(4-acetylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 4-acetylbenzoate
CID 157029099
copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 159081136
ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate
CID 162013248
2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631959

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate?
The IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate (CID 86171839) is 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate is CCOCCOCCOCCOC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate?
The InChIKey is GMLYALYBJISCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6/c1-2-18-7-8-19-9-10-20-11-12-21-15(17)13-3-5-14(16)6-4-13/h3-6,16H,2,7-12H2,1H3.
What are the key properties of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate?
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate has a molecular weight of 298.33 g/mol, XLogP of 1.62, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate is sourced from PubChem (CID 86171839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).