anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

C13H22O5 — CID 159647110

IUPACanisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESCOc1ccccc1.OCCOCCOCCO
InChIInChI=1S/C7H8O.C6H14O4/c1-8-7-5-3-2-4-6-7;7-1-3-9-5-6-10-4-2-8/h2-6H,1H3;7-8H,1-6H2
InChIKeyMRCBBNNRNMYAPA-UHFFFAOYSA-N
MW258.31 g/mol
LogP0.70
Rot. Bonds8

About anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 159647110) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Nameanisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
PubChem CID159647110
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Nameanisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESCOc1ccccc1.OCCOCCOCCO
InChIInChI=1S/C7H8O.C6H14O4/c1-8-7-5-3-2-4-6-7;7-1-3-9-5-6-10-4-2-8/h2-6H,1H3;7-8H,1-6H2
InChIKeyMRCBBNNRNMYAPA-UHFFFAOYSA-N
XLogP0.70
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
2-(2-phenoxyethoxy)ethanol
CID 7715
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
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
2-(2-hydroxyethoxy)ethanol;toluene
CID 157148794
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol
CID 67882501
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
anisole;hydrochloride
CID 158800007
anisole;trihydrofluoride
CID 174796385
CID 172685187
CID 172685187
cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123989591

Frequently Asked Questions

What is the IUPAC name of anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (CID 159647110) is anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is COc1ccccc1.OCCOCCOCCO.
What is the InChIKey of anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is MRCBBNNRNMYAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C6H14O4/c1-8-7-5-3-2-4-6-7;7-1-3-9-5-6-10-4-2-8/h2-6H,1H3;7-8H,1-6H2.
What are the key properties of anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 258.31 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 159647110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).