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

C16H24O7 — CID 158057497

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
SMILESCOCCOCCOCCOCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H24O7/c1-19-6-7-20-8-9-21-10-11-22-12-13-23-16(18)14-2-4-15(17)5-3-14/h2-5,17H,6-13H2,1H3
InChIKeyIFFPOFLALYLIQU-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.25
Rot. Bonds13

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

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate (PubChem CID 158057497) has the molecular formula C16H24O7 and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
PubChem CID158057497
Molecular FormulaC16H24O7
Molecular Weight328.36 g/mol
Exact Mass328.15
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
SMILESCOCCOCCOCCOCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H24O7/c1-19-6-7-20-8-9-21-10-11-22-12-13-23-16(18)14-2-4-15(17)5-3-14/h2-5,17H,6-13H2,1H3
InChIKeyIFFPOFLALYLIQU-UHFFFAOYSA-N
XLogP1.25
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
CID 86171839
2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate
CID 59927733
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
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 4-hydroxybenzoate
CID 118331665
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
methoxymethyl 4-hydroxybenzoate
CID 58114704
propyl 4-hydroxybenzoate
CID 66683808
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate (CID 158057497) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate is COCCOCCOCCOCCOC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
The InChIKey is IFFPOFLALYLIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O7/c1-19-6-7-20-8-9-21-10-11-22-12-13-23-16(18)14-2-4-15(17)5-3-14/h2-5,17H,6-13H2,1H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate has a molecular weight of 328.36 g/mol, XLogP of 1.25, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate is sourced from PubChem (CID 158057497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).