1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol

C21H36O5 — CID 153313983

IUPAC1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol
SMILESCCCCCCCCCC(O)(COCCOCCO)Oc1ccccc1
InChIInChI=1S/C21H36O5/c1-2-3-4-5-6-7-11-14-21(23,19-25-18-17-24-16-15-22)26-20-12-9-8-10-13-20/h8-10,12-13,22-23H,2-7,11,14-19H2,1H3
InChIKeySHBRHEOSMQTGLI-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.92
Rot. Bonds17

About 1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol

1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol (PubChem CID 153313983) has the molecular formula C21H36O5 and a molecular weight of 368.51 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol
PubChem CID153313983
Molecular FormulaC21H36O5
Molecular Weight368.51 g/mol
Exact Mass368.26
IUPAC Name1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol
SMILESCCCCCCCCCC(O)(COCCOCCO)Oc1ccccc1
InChIInChI=1S/C21H36O5/c1-2-3-4-5-6-7-11-14-21(23,19-25-18-17-24-16-15-22)26-20-12-9-8-10-13-20/h8-10,12-13,22-23H,2-7,11,14-19H2,1H3
InChIKeySHBRHEOSMQTGLI-UHFFFAOYSA-N
XLogP3.92
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 150135541
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2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 91565565
2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride
CID 173417720
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-nonylphenol
CID 158816755
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CID 157250181
decan-1-ol;2-(2-hydroxyethoxy)ethanol;phenoxybenzene;propane-1,2-diol
CID 67567591
azane;3-phenoxy-12-prop-2-enoxydodecan-3-ol
CID 175717736
2-phenoxyethanol;tetradecan-1-ol
CID 118450850
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid
CID 122610864
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2-methyloctan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100925855

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol (CID 153313983) is 1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol is CCCCCCCCCC(O)(COCCOCCO)Oc1ccccc1.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol?
The InChIKey is SHBRHEOSMQTGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O5/c1-2-3-4-5-6-7-11-14-21(23,19-25-18-17-24-16-15-22)26-20-12-9-8-10-13-20/h8-10,12-13,22-23H,2-7,11,14-19H2,1H3.
What are the key properties of 1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol?
1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol has a molecular weight of 368.51 g/mol, XLogP of 3.92, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol is sourced from PubChem (CID 153313983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).