2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene

C20H26O3 — CID 68855173

IUPAC2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene
SMILESCC(OCCc1ccccc1)OC(C)OCCc1ccccc1
InChIInChI=1S/C20H26O3/c1-17(21-15-13-19-9-5-3-6-10-19)23-18(2)22-16-14-20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3
InChIKeyIMEKWFVJAMRIRS-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.21
Rot. Bonds10

About 2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene

2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene (PubChem CID 68855173) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene.

Molecular Properties

Compound Name2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene
PubChem CID68855173
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene
SMILESCC(OCCc1ccccc1)OC(C)OCCc1ccccc1
InChIInChI=1S/C20H26O3/c1-17(21-15-13-19-9-5-3-6-10-19)23-18(2)22-16-14-20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3
InChIKeyIMEKWFVJAMRIRS-UHFFFAOYSA-N
XLogP4.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylethoxy)propane-1,2-diol
CID 140994820
1,1-diethoxyethane;2-phenylethylbenzene
CID 66689331
3-(2-phenylethoxy)butanoic acid
CID 43536152
N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine
CID 115001394
trimethyl(2-phenylethyl)phosphanium
CID 10777798
2-methoxyethylbenzene
CID 19089
[2-hydroxy-1-(2-phenylethoxy)propyl]-trimethylazanium chloride
CID 66978062
3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115003011
1-(4-methoxyphenyl)-2-[1-(2-phenylethoxy)ethoxy]ethanone
CID 18387003
2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115002161
N-[2-(2-phenylethoxy)propyl]butan-2-amine
CID 115002170
2-(1-butoxypropoxy)ethylbenzene
CID 71445945

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene?
The IUPAC name of 2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene (CID 68855173) is 2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene.
What is the SMILES notation for 2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene?
The canonical SMILES for 2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene is CC(OCCc1ccccc1)OC(C)OCCc1ccccc1.
What is the InChIKey of 2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene?
The InChIKey is IMEKWFVJAMRIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-17(21-15-13-19-9-5-3-6-10-19)23-18(2)22-16-14-20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3.
What are the key properties of 2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene?
2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene has a molecular weight of 314.43 g/mol, XLogP of 4.21, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene is sourced from PubChem (CID 68855173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).