2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol

C16H26O4 — CID 139655568

IUPAC2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol
SMILESCCCC(OCCOCCOCCO)c1ccccc1
InChIInChI=1S/C16H26O4/c1-2-6-16(15-7-4-3-5-8-15)20-14-13-19-12-11-18-10-9-17/h3-5,7-8,16-17H,2,6,9-14H2,1H3
InChIKeyGTOOFALCHPNZLD-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.57
Rot. Bonds12

About 2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol

2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol (PubChem CID 139655568) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol
PubChem CID139655568
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol
SMILESCCCC(OCCOCCOCCO)c1ccccc1
InChIInChI=1S/C16H26O4/c1-2-6-16(15-7-4-3-5-8-15)20-14-13-19-12-11-18-10-9-17/h3-5,7-8,16-17H,2,6,9-14H2,1H3
InChIKeyGTOOFALCHPNZLD-UHFFFAOYSA-N
XLogP2.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.57
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

1-pentoxybutylbenzene
CID 173061669
2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol
CID 70556867
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-phenylethoxy]-2-phenylethoxy]-2-phenylethoxy]-2-phenylethoxy]-2-[2-(2-hydroxyethoxy)-2-phenylethoxy]propoxy]-1-phenylethoxy]-1-phenylethoxy]-1-phenylethoxy]-1-phenylethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 164935779
3-(1-phenylbutoxy)propane-1,2-diol
CID 175154206
2-(3-ethyl-1-phenylnonoxy)ethanol
CID 12997328
1-(2-methoxyethoxy)pentylbenzene
CID 10977044
1-(1-phenylbutoxy)propan-2-ol
CID 139655590
1-dodecoxyhexylbenzene
CID 174774790
2-(1-phenylbutoxymethyl)phenol
CID 67179577
2-[(1S)-2-iodo-1-phenylethoxy]ethanol
CID 125483394
1-pentoxypropylbenzene
CID 57033372
3-butoxy-3-phenylpropan-1-amine
CID 114998461

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol (CID 139655568) is 2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol is CCCC(OCCOCCOCCO)c1ccccc1.
What is the InChIKey of 2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol?
The InChIKey is GTOOFALCHPNZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-2-6-16(15-7-4-3-5-8-15)20-14-13-19-12-11-18-10-9-17/h3-5,7-8,16-17H,2,6,9-14H2,1H3.
What are the key properties of 2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol?
2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol has a molecular weight of 282.38 g/mol, XLogP of 2.57, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 139655568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).