2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol

C16H26O4 — CID 173046953

IUPAC2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol
SMILESCCC(C)c1cccc(OCCOCCOCCO)c1
InChIInChI=1S/C16H26O4/c1-3-14(2)15-5-4-6-16(13-15)20-12-11-19-10-9-18-8-7-17/h4-6,13-14,17H,3,7-12H2,1-2H3
InChIKeyWGUTZEYSQLJPKA-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.60
Rot. Bonds11

About 2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol

2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol (PubChem CID 173046953) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol
PubChem CID173046953
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol
SMILESCCC(C)c1cccc(OCCOCCOCCO)c1
InChIInChI=1S/C16H26O4/c1-3-14(2)15-5-4-6-16(13-15)20-12-11-19-10-9-18-8-7-17/h4-6,13-14,17H,3,7-12H2,1-2H3
InChIKeyWGUTZEYSQLJPKA-UHFFFAOYSA-N
XLogP2.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol
CID 63367420
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
CID 106453772
cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123989591
2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340
1-butan-2-yl-3-(2,3-dimethylbutoxy)benzene
CID 130224186
2-[2-(3-chlorophenoxy)ethoxy]ethanol
CID 10443322
2-(2-phenoxyethoxy)ethanol
CID 7715
2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol
CID 78937234
6-(3-propan-2-ylphenoxy)hexan-1-ol
CID 103867881
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol
CID 61071633
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol (CID 173046953) is 2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol is CCC(C)c1cccc(OCCOCCOCCO)c1.
What is the InChIKey of 2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol?
The InChIKey is WGUTZEYSQLJPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-3-14(2)15-5-4-6-16(13-15)20-12-11-19-10-9-18-8-7-17/h4-6,13-14,17H,3,7-12H2,1-2H3.
What are the key properties of 2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol?
2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol has a molecular weight of 282.38 g/mol, XLogP of 2.60, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-butan-2-ylphenoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 173046953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).