2-(2-ethoxyethoxy)ethanol;2-phenylethylbenzene

C20H28O3 — CID 67767240

IUPAC2-(2-ethoxyethoxy)ethanol;2-phenylethylbenzene
SMILESCCOCCOCCO.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C14H14.C6H14O3/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-8-5-6-9-4-3-7/h1-10H,11-12H2;7H,2-6H2,1H3
InChIKeyREBKSDNFLZSPPY-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.50
Rot. Bonds9

About 2-(2-ethoxyethoxy)ethanol;2-phenylethylbenzene

2-(2-ethoxyethoxy)ethanol;2-phenylethylbenzene (PubChem CID 67767240) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethanol;2-phenylethylbenzene.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethanol;2-phenylethylbenzene
PubChem CID67767240
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Name2-(2-ethoxyethoxy)ethanol;2-phenylethylbenzene
SMILESCCOCCOCCO.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C14H14.C6H14O3/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-8-5-6-9-4-3-7/h1-10H,11-12H2;7H,2-6H2,1H3
InChIKeyREBKSDNFLZSPPY-UHFFFAOYSA-N
XLogP3.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethanol;2-phenylethylbenzene?
The IUPAC name of 2-(2-ethoxyethoxy)ethanol;2-phenylethylbenzene (CID 67767240) is 2-(2-ethoxyethoxy)ethanol;2-phenylethylbenzene.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethanol;2-phenylethylbenzene?
The canonical SMILES for 2-(2-ethoxyethoxy)ethanol;2-phenylethylbenzene is CCOCCOCCO.c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 2-(2-ethoxyethoxy)ethanol;2-phenylethylbenzene?
The InChIKey is REBKSDNFLZSPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C6H14O3/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-8-5-6-9-4-3-7/h1-10H,11-12H2;7H,2-6H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethanol;2-phenylethylbenzene?
2-(2-ethoxyethoxy)ethanol;2-phenylethylbenzene has a molecular weight of 316.44 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethanol;2-phenylethylbenzene is sourced from PubChem (CID 67767240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).