2-[2-(2-nonylphenoxy)ethoxy]ethanol

C19H32O3 — CID 3032832

IUPAC2-[2-(2-nonylphenoxy)ethoxy]ethanol
SMILESCCCCCCCCCc1ccccc1OCCOCCO
InChIInChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-11-18-12-9-10-13-19(18)22-17-16-21-15-14-20/h9-10,12-13,20H,2-8,11,14-17H2,1H3
InChIKeyRRLGETDMEIMLQU-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.37
Rot. Bonds14

About 2-[2-(2-nonylphenoxy)ethoxy]ethanol

2-[2-(2-nonylphenoxy)ethoxy]ethanol (PubChem CID 3032832) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 2-[2-(2-nonylphenoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-nonylphenoxy)ethoxy]ethanol
PubChem CID3032832
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name2-[2-(2-nonylphenoxy)ethoxy]ethanol
SMILESCCCCCCCCCc1ccccc1OCCOCCO
InChIInChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-11-18-12-9-10-13-19(18)22-17-16-21-15-14-20/h9-10,12-13,20H,2-8,11,14-17H2,1H3
InChIKeyRRLGETDMEIMLQU-UHFFFAOYSA-N
XLogP4.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[2-(2-nonylphenoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-nonylphenoxy)ethoxy]ethanol (CID 3032832) is 2-[2-(2-nonylphenoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-nonylphenoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-nonylphenoxy)ethoxy]ethanol is CCCCCCCCCc1ccccc1OCCOCCO.
What is the InChIKey of 2-[2-(2-nonylphenoxy)ethoxy]ethanol?
The InChIKey is RRLGETDMEIMLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-11-18-12-9-10-13-19(18)22-17-16-21-15-14-20/h9-10,12-13,20H,2-8,11,14-17H2,1H3.
What are the key properties of 2-[2-(2-nonylphenoxy)ethoxy]ethanol?
2-[2-(2-nonylphenoxy)ethoxy]ethanol has a molecular weight of 308.46 g/mol, XLogP of 4.37, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-nonylphenoxy)ethoxy]ethanol is sourced from PubChem (CID 3032832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).