1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol

C11H16O4 — CID 70425205

IUPAC1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol
SMILESOCCOCC(O)COc1ccccc1
InChIInChI=1S/C11H16O4/c12-6-7-14-8-10(13)9-15-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2
InChIKeyYICULBFLJOHRQS-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.44
Rot. Bonds7

About 1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol

1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol (PubChem CID 70425205) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol
PubChem CID70425205
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol
SMILESOCCOCC(O)COc1ccccc1
InChIInChI=1S/C11H16O4/c12-6-7-14-8-10(13)9-15-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2
InChIKeyYICULBFLJOHRQS-UHFFFAOYSA-N
XLogP0.44
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.44
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

(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
actinium;3-phenoxypropane-1,2-diol
CID 22981458
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol
CID 67882501
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091
2-(2-phenoxyethoxy)ethanol
CID 7715
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
14-phenoxytetradecane-1,13-diol
CID 123918890
4-[[4-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]methoxy]butane-1,3-diol
CID 138539275
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
(2R)-1-(3-phenoxypropoxy)butan-2-ol
CID 158011713

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol (CID 70425205) is 1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol is OCCOCC(O)COc1ccccc1.
What is the InChIKey of 1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol?
The InChIKey is YICULBFLJOHRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c12-6-7-14-8-10(13)9-15-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2.
What are the key properties of 1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol?
1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol has a molecular weight of 212.25 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol is sourced from PubChem (CID 70425205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).