2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol

C12H18O4 — CID 139725286

IUPAC2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol
SMILESCC(OCCO)(OCCO)c1ccccc1
InChIInChI=1S/C12H18O4/c1-12(15-9-7-13,16-10-8-14)11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3
InChIKeyCLJPUXBFWOWYMQ-UHFFFAOYSA-N
MW226.27 g/mol
LogP0.88
Rot. Bonds7

About 2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol

2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol (PubChem CID 139725286) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol.

Molecular Properties

Compound Name2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol
PubChem CID139725286
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol
SMILESCC(OCCO)(OCCO)c1ccccc1
InChIInChI=1S/C12H18O4/c1-12(15-9-7-13,16-10-8-14)11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3
InChIKeyCLJPUXBFWOWYMQ-UHFFFAOYSA-N
XLogP0.88
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 50.88
H-Bond Donors ≤ 52
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

heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
CID 159570808
2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol
CID 97289363
2-[1-(2-hydroxyethoxy)-1,2-diphenylpropoxy]ethanol
CID 70602135
2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid
CID 151085982
2-(2-pyridin-2-ylpropan-2-yloxy)ethanol
CID 141291865
2-(2-phenylpropan-2-ylperoxy)ethanol
CID 13111058
2-[2-(2-hydroxyethoxy)-1,1-diphenylpropan-2-yl]oxyethanol
CID 89120579
3-methylbutoxy(phenyl)methanediol
CID 143532405
ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate
CID 68744175
3,4-dimethyl-3,4-diphenylhexane-1,6-diol
CID 102025625
3-methyl-3-phenylpentane-1,5-diol
CID 3019682
[1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate
CID 118088572

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol?
The IUPAC name of 2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol (CID 139725286) is 2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol.
What is the SMILES notation for 2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol?
The canonical SMILES for 2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol is CC(OCCO)(OCCO)c1ccccc1.
What is the InChIKey of 2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol?
The InChIKey is CLJPUXBFWOWYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-12(15-9-7-13,16-10-8-14)11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3.
What are the key properties of 2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol?
2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol has a molecular weight of 226.27 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol is sourced from PubChem (CID 139725286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).