2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol

C25H36O7 — CID 19034540

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol
SMILESCC(C)(c1ccc(OCCOCCO)cc1)c1ccc(OCCOCCO)c(CCO)c1
InChIInChI=1S/C25H36O7/c1-25(2,21-3-6-23(7-4-21)31-17-15-29-13-11-27)22-5-8-24(20(19-22)9-10-26)32-18-16-30-14-12-28/h3-8,19,26-28H,9-18H2,1-2H3
InChIKeyGZAFKXMNRIXLER-UHFFFAOYSA-N
MW448.56 g/mol
LogP2.32
Rot. Bonds16

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol

2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol (PubChem CID 19034540) has the molecular formula C25H36O7 and a molecular weight of 448.56 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol
PubChem CID19034540
Molecular FormulaC25H36O7
Molecular Weight448.56 g/mol
Exact Mass448.25
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol
SMILESCC(C)(c1ccc(OCCOCCO)cc1)c1ccc(OCCOCCO)c(CCO)c1
InChIInChI=1S/C25H36O7/c1-25(2,21-3-6-23(7-4-21)31-17-15-29-13-11-27)22-5-8-24(20(19-22)9-10-26)32-18-16-30-14-12-28/h3-8,19,26-28H,9-18H2,1-2H3
InChIKeyGZAFKXMNRIXLER-UHFFFAOYSA-N
XLogP2.32
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 15607829
2-[2-(2-hydroxyethoxy)-5-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenyl]ethanol
CID 19034529
2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 176854878
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenyl]ethoxy]ethanol
CID 142633632
(2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol
CID 159008293
(2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol
CID 90381423
2-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 71322665
2-[2-[2-[4-[2-[4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethanol
CID 90381443
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol
CID 118595331
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(3-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100925878
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(3-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100925879

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol (CID 19034540) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol is CC(C)(c1ccc(OCCOCCO)cc1)c1ccc(OCCOCCO)c(CCO)c1.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol?
The InChIKey is GZAFKXMNRIXLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O7/c1-25(2,21-3-6-23(7-4-21)31-17-15-29-13-11-27)22-5-8-24(20(19-22)9-10-26)32-18-16-30-14-12-28/h3-8,19,26-28H,9-18H2,1-2H3.
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol?
2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol has a molecular weight of 448.56 g/mol, XLogP of 2.32, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol is sourced from PubChem (CID 19034540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).