2-(2-hydroxyethoxy)ethanol;toluene

C11H18O3 — CID 157148794

IUPAC2-(2-hydroxyethoxy)ethanol;toluene
SMILESCc1ccccc1.OCCOCCO
InChIInChI=1S/C7H8.C4H10O3/c1-7-5-3-2-4-6-7;5-1-3-7-4-2-6/h2-6H,1H3;5-6H,1-4H2
InChIKeyALAASBXVYQBZGD-UHFFFAOYSA-N
MW198.26 g/mol
LogP0.98
Rot. Bonds4

About 2-(2-hydroxyethoxy)ethanol;toluene

2-(2-hydroxyethoxy)ethanol;toluene (PubChem CID 157148794) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;toluene.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;toluene
PubChem CID157148794
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-(2-hydroxyethoxy)ethanol;toluene
SMILESCc1ccccc1.OCCOCCO
InChIInChI=1S/C7H8.C4H10O3/c1-7-5-3-2-4-6-7;5-1-3-7-4-2-6/h2-6H,1H3;5-6H,1-4H2
InChIKeyALAASBXVYQBZGD-UHFFFAOYSA-N
XLogP0.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

anisole;2-(2-hydroxyethoxy)ethanol
CID 21463823
anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159647110
2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol
CID 110878023
2-hydroxyethoxy(phenyl)borinic acid;toluene
CID 19899525
ethanol;toluene;trihydrochloride
CID 175328160
azane;ethanol;toluene
CID 131739211
ethene;propan-1-ol;toluene
CID 20565327
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
2-(2-phenoxyethoxy)ethanol
CID 7715
ruthenium;toluene;trihydrochloride
CID 174723656
methylcyclotriacontapentadecaene
CID 101240530
benzene;toluene
CID 158487474

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;toluene?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;toluene (CID 157148794) is 2-(2-hydroxyethoxy)ethanol;toluene.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;toluene?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;toluene is Cc1ccccc1.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;toluene?
The InChIKey is ALAASBXVYQBZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H10O3/c1-7-5-3-2-4-6-7;5-1-3-7-4-2-6/h2-6H,1H3;5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;toluene?
2-(2-hydroxyethoxy)ethanol;toluene has a molecular weight of 198.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;toluene is sourced from PubChem (CID 157148794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).