2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol

C20H26O6 — CID 102155693

IUPAC2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
SMILESOCCOCCOc1cccc(-c2cccc(OCCOCCO)c2)c1
InChIInChI=1S/C20H26O6/c21-7-9-23-11-13-25-19-5-1-3-17(15-19)18-4-2-6-20(16-18)26-14-12-24-10-8-22/h1-6,15-16,21-22H,7-14H2
InChIKeyITQKQQCJFWCERJ-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.13
Rot. Bonds13

About 2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol

2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol (PubChem CID 102155693) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is 2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
PubChem CID102155693
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
SMILESOCCOCCOc1cccc(-c2cccc(OCCOCCO)c2)c1
InChIInChI=1S/C20H26O6/c21-7-9-23-11-13-25-19-5-1-3-17(15-19)18-4-2-6-20(16-18)26-14-12-24-10-8-22/h1-6,15-16,21-22H,7-14H2
InChIKeyITQKQQCJFWCERJ-UHFFFAOYSA-N
XLogP2.13
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-chlorophenoxy)ethoxy]ethanol
CID 10443322
2-(2-phenoxyethoxy)ethanol
CID 7715
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol
CID 173357798
2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol
CID 63367420
6-(3-phenylphenoxy)hexan-1-ol
CID 15006942
2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol
CID 173046953
CID 11102919
CID 11102919
2-[2-[3-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
CID 63058258
2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol
CID 61074623
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol (CID 102155693) is 2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol is OCCOCCOc1cccc(-c2cccc(OCCOCCO)c2)c1.
What is the InChIKey of 2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol?
The InChIKey is ITQKQQCJFWCERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6/c21-7-9-23-11-13-25-19-5-1-3-17(15-19)18-4-2-6-20(16-18)26-14-12-24-10-8-22/h1-6,15-16,21-22H,7-14H2.
What are the key properties of 2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol?
2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol has a molecular weight of 362.42 g/mol, XLogP of 2.13, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol is sourced from PubChem (CID 102155693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).