methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate

C14H20O5 — CID 122582432

IUPACmethyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCOCCOCCO)cc1
InChIInChI=1S/C14H20O5/c1-17-14(16)13-4-2-12(3-5-13)6-8-18-10-11-19-9-7-15/h2-5,15H,6-11H2,1H3
InChIKeySEPICPWMXSFGJM-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.04
Rot. Bonds9

About methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate

methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate (PubChem CID 122582432) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate
PubChem CID122582432
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Namemethyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCOCCOCCO)cc1
InChIInChI=1S/C14H20O5/c1-17-14(16)13-4-2-12(3-5-13)6-8-18-10-11-19-9-7-15/h2-5,15H,6-11H2,1H3
InChIKeySEPICPWMXSFGJM-UHFFFAOYSA-N
XLogP1.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.04
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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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate (CID 122582432) is methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate is COC(=O)c1ccc(CCOCCOCCO)cc1.
What is the InChIKey of methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate?
The InChIKey is SEPICPWMXSFGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-17-14(16)13-4-2-12(3-5-13)6-8-18-10-11-19-9-7-15/h2-5,15H,6-11H2,1H3.
What are the key properties of methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate?
methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate has a molecular weight of 268.31 g/mol, XLogP of 1.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate is sourced from PubChem (CID 122582432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).