2-[2-(2,2-diethoxyethoxy)phenyl]ethanol

C14H22O4 — CID 58168566

IUPAC2-[2-(2,2-diethoxyethoxy)phenyl]ethanol
SMILESCCOC(COc1ccccc1CCO)OCC
InChIInChI=1S/C14H22O4/c1-3-16-14(17-4-2)11-18-13-8-6-5-7-12(13)9-10-15/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyAMOXIYVNQPNJRD-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.00
Rot. Bonds9

About 2-[2-(2,2-diethoxyethoxy)phenyl]ethanol

2-[2-(2,2-diethoxyethoxy)phenyl]ethanol (PubChem CID 58168566) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-(2,2-diethoxyethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(2,2-diethoxyethoxy)phenyl]ethanol
PubChem CID58168566
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2-[2-(2,2-diethoxyethoxy)phenyl]ethanol
SMILESCCOC(COc1ccccc1CCO)OCC
InChIInChI=1S/C14H22O4/c1-3-16-14(17-4-2)11-18-13-8-6-5-7-12(13)9-10-15/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyAMOXIYVNQPNJRD-UHFFFAOYSA-N
XLogP2.00
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxypropoxy)phenyl]ethanol
CID 107713250
2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol
CID 107713014
2-[2-[3-(ethylamino)-2-methylpropoxy]phenyl]ethanol
CID 107713005
1-(2,2-diethoxyethoxy)-2-iodobenzene
CID 63630107
2-(2-pentoxyphenyl)ethanol
CID 91657515
[2-(3,3-diethoxypropoxy)phenyl]methanol
CID 63654292
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
1-tert-butyl-2-(2,2-diethoxyethoxy)benzene
CID 13416777
2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid
CID 107711556
3-[2-(2-hydroxyethyl)phenoxy]-2-(methylamino)propanenitrile
CID 107713929
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404
2-[2-(4-methoxybutoxy)phenyl]ethanol
CID 107258154

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-diethoxyethoxy)phenyl]ethanol?
The IUPAC name of 2-[2-(2,2-diethoxyethoxy)phenyl]ethanol (CID 58168566) is 2-[2-(2,2-diethoxyethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[2-(2,2-diethoxyethoxy)phenyl]ethanol?
The canonical SMILES for 2-[2-(2,2-diethoxyethoxy)phenyl]ethanol is CCOC(COc1ccccc1CCO)OCC.
What is the InChIKey of 2-[2-(2,2-diethoxyethoxy)phenyl]ethanol?
The InChIKey is AMOXIYVNQPNJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-16-14(17-4-2)11-18-13-8-6-5-7-12(13)9-10-15/h5-8,14-15H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[2-(2,2-diethoxyethoxy)phenyl]ethanol?
2-[2-(2,2-diethoxyethoxy)phenyl]ethanol has a molecular weight of 254.33 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-diethoxyethoxy)phenyl]ethanol is sourced from PubChem (CID 58168566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).