1-(1-phenylpropoxy)ethane-1,2-diol

C11H16O3 — CID 68934607

IUPAC1-(1-phenylpropoxy)ethane-1,2-diol
SMILESCCC(OC(O)CO)c1ccccc1
InChIInChI=1S/C11H16O3/c1-2-10(14-11(13)8-12)9-6-4-3-5-7-9/h3-7,10-13H,2,8H2,1H3
InChIKeyYPSAINRJYBOWTK-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.47
Rot. Bonds5

About 1-(1-phenylpropoxy)ethane-1,2-diol

1-(1-phenylpropoxy)ethane-1,2-diol (PubChem CID 68934607) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(1-phenylpropoxy)ethane-1,2-diol.

Molecular Properties

Compound Name1-(1-phenylpropoxy)ethane-1,2-diol
PubChem CID68934607
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-(1-phenylpropoxy)ethane-1,2-diol
SMILESCCC(OC(O)CO)c1ccccc1
InChIInChI=1S/C11H16O3/c1-2-10(14-11(13)8-12)9-6-4-3-5-7-9/h3-7,10-13H,2,8H2,1H3
InChIKeyYPSAINRJYBOWTK-UHFFFAOYSA-N
XLogP1.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-phenylpropoxy)ethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-phenylpropoxy)propane-1,2-diol
CID 134964704
1-(1-phenylpropoxy)ethanethiol
CID 126486623
(2R)-2-ethoxy-2-phenylethanol
CID 10654619
(2R)-2-methoxy-2-phenylethanol
CID 6950345
1-phenylpropyl 2-hydroxyacetate
CID 174847309
dimethyl-bis(1-phenylpropoxy)silane
CID 91741555
3-(1-phenylbutoxy)propane-1,2-diol
CID 175154206
1-phenylpropyl 2-phenylpropanoate
CID 174489936
1-(trifluoromethoxy)propylbenzene
CID 174717015
1-methoxy-1-phenylbutan-2-ol
CID 116756893
1-phenylpropan-1-ol;hydrate
CID 156782934
O-(1-phenylpropyl) methylsulfanylmethanethioate
CID 86183246

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropoxy)ethane-1,2-diol?
The IUPAC name of 1-(1-phenylpropoxy)ethane-1,2-diol (CID 68934607) is 1-(1-phenylpropoxy)ethane-1,2-diol.
What is the SMILES notation for 1-(1-phenylpropoxy)ethane-1,2-diol?
The canonical SMILES for 1-(1-phenylpropoxy)ethane-1,2-diol is CCC(OC(O)CO)c1ccccc1.
What is the InChIKey of 1-(1-phenylpropoxy)ethane-1,2-diol?
The InChIKey is YPSAINRJYBOWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-10(14-11(13)8-12)9-6-4-3-5-7-9/h3-7,10-13H,2,8H2,1H3.
What are the key properties of 1-(1-phenylpropoxy)ethane-1,2-diol?
1-(1-phenylpropoxy)ethane-1,2-diol has a molecular weight of 196.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropoxy)ethane-1,2-diol is sourced from PubChem (CID 68934607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).