2-[2-(4-nonylphenoxy)ethoxy]ethanol

C19H32O3 — CID 24773

IUPAC2-[2-(4-nonylphenoxy)ethoxy]ethanol
SMILESCCCCCCCCCc1ccc(OCCOCCO)cc1
InChIInChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3
InChIKeyBLXVTZPGEOGTGG-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.37
Rot. Bonds14

About 2-[2-(4-nonylphenoxy)ethoxy]ethanol

2-[2-(4-nonylphenoxy)ethoxy]ethanol (PubChem CID 24773) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 2-[2-(4-nonylphenoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(4-nonylphenoxy)ethoxy]ethanol
PubChem CID24773
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name2-[2-(4-nonylphenoxy)ethoxy]ethanol
SMILESCCCCCCCCCc1ccc(OCCOCCO)cc1
InChIInChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3
InChIKeyBLXVTZPGEOGTGG-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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Related Compounds

Mephenesin
CID 4059
Nonaethylene Glycol Nonylphenyl Ether
CID 72385
Ospemifene
CID 3036505
Cresyl glycidyl ether
CID 16606
p-tert-Butylphenyl glycidyl ether
CID 18360
4-Propylanisole
CID 7702
Triton X 100
CID 5590
Bisphenol F diglycidyl ether
CID 91511
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
CID 16033
4-Methoxyphenethyl alcohol
CID 69705
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
CID 24775
3-(4-Methoxyphenyl)-1-propanol
CID 79406

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-nonylphenoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(4-nonylphenoxy)ethoxy]ethanol (CID 24773) is 2-[2-(4-nonylphenoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(4-nonylphenoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(4-nonylphenoxy)ethoxy]ethanol is CCCCCCCCCc1ccc(OCCOCCO)cc1.
What is the InChIKey of 2-[2-(4-nonylphenoxy)ethoxy]ethanol?
The InChIKey is BLXVTZPGEOGTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3.
What are the key properties of 2-[2-(4-nonylphenoxy)ethoxy]ethanol?
2-[2-(4-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-(4-nonylphenoxy)ethoxy]ethanol is sourced from PubChem (CID 24773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).