2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol

C16H22O3 — CID 141387799

IUPAC2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol
SMILESCCc1ccc(OCC=CC=CCOCCO)cc1
InChIInChI=1S/C16H22O3/c1-2-15-7-9-16(10-8-15)19-13-6-4-3-5-12-18-14-11-17/h3-10,17H,2,11-14H2,1H3
InChIKeyVGGCRCATJQXFMR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.75
Rot. Bonds9

About 2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol

2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol (PubChem CID 141387799) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol.

Molecular Properties

Compound Name2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol
PubChem CID141387799
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol
SMILESCCc1ccc(OCC=CC=CCOCCO)cc1
InChIInChI=1S/C16H22O3/c1-2-15-7-9-16(10-8-15)19-13-6-4-3-5-12-18-14-11-17/h3-10,17H,2,11-14H2,1H3
InChIKeyVGGCRCATJQXFMR-UHFFFAOYSA-N
XLogP2.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[(E)-pent-2-enoxy]benzene
CID 152800544
[4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol
CID 19261739
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-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol
CID 57157923
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
CID 139672885
2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 91565565
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
CID 102046454
2-ethyl-4-(4-ethylphenoxy)but-2-enoic acid
CID 77100433
1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene
CID 54241821

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol?
The IUPAC name of 2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol (CID 141387799) is 2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol.
What is the SMILES notation for 2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol?
The canonical SMILES for 2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol is CCc1ccc(OCC=CC=CCOCCO)cc1.
What is the InChIKey of 2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol?
The InChIKey is VGGCRCATJQXFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-2-15-7-9-16(10-8-15)19-13-6-4-3-5-12-18-14-11-17/h3-10,17H,2,11-14H2,1H3.
What are the key properties of 2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol?
2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol has a molecular weight of 262.35 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol is sourced from PubChem (CID 141387799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).