2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol

C27H40O8 — CID 57157923

IUPAC2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOc1ccc(CCCc2ccc(OCCOCCOCCO)cc2)cc1
InChIInChI=1S/C27H40O8/c28-12-14-30-16-18-32-20-22-34-26-8-4-24(5-9-26)2-1-3-25-6-10-27(11-7-25)35-23-21-33-19-17-31-15-13-29/h4-11,28-29H,1-3,12-23H2
InChIKeyAIFORQKLWXWPEA-UHFFFAOYSA-N
MW492.61 g/mol
LogP2.67
Rot. Bonds22

About 2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol (PubChem CID 57157923) has the molecular formula C27H40O8 and a molecular weight of 492.61 g/mol. Its IUPAC name is 2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol
PubChem CID57157923
Molecular FormulaC27H40O8
Molecular Weight492.61 g/mol
Exact Mass492.27
IUPAC Name2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOc1ccc(CCCc2ccc(OCCOCCOCCO)cc2)cc1
InChIInChI=1S/C27H40O8/c28-12-14-30-16-18-32-20-22-34-26-8-4-24(5-9-26)2-1-3-25-6-10-27(11-7-25)35-23-21-33-19-17-31-15-13-29/h4-11,28-29H,1-3,12-23H2
InChIKeyAIFORQKLWXWPEA-UHFFFAOYSA-N
XLogP2.67
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
CID 139672885
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-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
2-(2-phenoxyethoxy)ethanol
CID 7715
3-[4-[2-[2-[2-[4-[tris(4-methylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-1-ol
CID 11721571
2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol
CID 166304036
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile
CID 10572027
1-hexyl-4-(2-propoxyethoxy)benzene
CID 91210467
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 24748856

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol (CID 57157923) is 2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOc1ccc(CCCc2ccc(OCCOCCOCCO)cc2)cc1.
What is the InChIKey of 2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol?
The InChIKey is AIFORQKLWXWPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O8/c28-12-14-30-16-18-32-20-22-34-26-8-4-24(5-9-26)2-1-3-25-6-10-27(11-7-25)35-23-21-33-19-17-31-15-13-29/h4-11,28-29H,1-3,12-23H2.
What are the key properties of 2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol has a molecular weight of 492.61 g/mol, XLogP of 2.67, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 57157923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).