anisole;2-(2-hydroxyethoxy)ethanol

C11H18O4 — CID 21463823

IUPACanisole;2-(2-hydroxyethoxy)ethanol
SMILESCOc1ccccc1.OCCOCCO
InChIInChI=1S/C7H8O.C4H10O3/c1-8-7-5-3-2-4-6-7;5-1-3-7-4-2-6/h2-6H,1H3;5-6H,1-4H2
InChIKeyXACFQMRMIMRMHA-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.68
Rot. Bonds5

About anisole;2-(2-hydroxyethoxy)ethanol

anisole;2-(2-hydroxyethoxy)ethanol (PubChem CID 21463823) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is anisole;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Nameanisole;2-(2-hydroxyethoxy)ethanol
PubChem CID21463823
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameanisole;2-(2-hydroxyethoxy)ethanol
SMILESCOc1ccccc1.OCCOCCO
InChIInChI=1S/C7H8O.C4H10O3/c1-8-7-5-3-2-4-6-7;5-1-3-7-4-2-6/h2-6H,1H3;5-6H,1-4H2
InChIKeyXACFQMRMIMRMHA-UHFFFAOYSA-N
XLogP0.68
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159647110
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526
2-(2-phenoxyethoxy)ethanol
CID 7715
2-(2-hydroxyethoxy)ethanol;toluene
CID 157148794
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007
ethane;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;naphthalene
CID 123844641
anisole;guanidine
CID 172735542
anisole;argon;propane
CID 165043377
2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene
CID 174311801

Frequently Asked Questions

What is the IUPAC name of anisole;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of anisole;2-(2-hydroxyethoxy)ethanol (CID 21463823) is anisole;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for anisole;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for anisole;2-(2-hydroxyethoxy)ethanol is COc1ccccc1.OCCOCCO.
What is the InChIKey of anisole;2-(2-hydroxyethoxy)ethanol?
The InChIKey is XACFQMRMIMRMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C4H10O3/c1-8-7-5-3-2-4-6-7;5-1-3-7-4-2-6/h2-6H,1H3;5-6H,1-4H2.
What are the key properties of anisole;2-(2-hydroxyethoxy)ethanol?
anisole;2-(2-hydroxyethoxy)ethanol has a molecular weight of 214.26 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 21463823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).