2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol

C12H14O2 — CID 97289363

IUPAC2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol
SMILESC#C[C@](C)(OCCO)c1ccccc1
InChIInChI=1S/C12H14O2/c1-3-12(2,14-10-9-13)11-7-5-4-6-8-11/h1,4-8,13H,9-10H2,2H3/t12-/m0/s1
InChIKeyZRIBPAOZAPHFQJ-LBPRGKRZSA-N
MW190.24 g/mol
LogP1.54
Rot. Bonds4

About 2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol

2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol (PubChem CID 97289363) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol
PubChem CID97289363
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol
SMILESC#C[C@](C)(OCCO)c1ccccc1
InChIInChI=1S/C12H14O2/c1-3-12(2,14-10-9-13)11-7-5-4-6-8-11/h1,4-8,13H,9-10H2,2H3/t12-/m0/s1
InChIKeyZRIBPAOZAPHFQJ-LBPRGKRZSA-N
XLogP1.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol 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

[(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene
CID 124584766
2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol
CID 139725286
2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene
CID 122215800
heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
CID 159570808
tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane
CID 24898876
2-[1-(2-hydroxyethoxy)-1,2-diphenylpropoxy]ethanol
CID 70602135
2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid
CID 151085982
2-(2-phenylpropan-2-ylperoxy)ethanol
CID 13111058
2-[2-(2-hydroxyethoxy)-1,1-diphenylpropan-2-yl]oxyethanol
CID 89120579
2-phenyl-2-phenylmethoxypropanenitrile
CID 162364617
[4-deuterio-2-(3-deuterioprop-2-enoxy)but-3-yn-2-yl]benzene
CID 101384461
ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate
CID 68744175

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol?
The IUPAC name of 2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol (CID 97289363) is 2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol.
What is the SMILES notation for 2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol?
The canonical SMILES for 2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol is C#C[C@](C)(OCCO)c1ccccc1.
What is the InChIKey of 2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol?
The InChIKey is ZRIBPAOZAPHFQJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-12(2,14-10-9-13)11-7-5-4-6-8-11/h1,4-8,13H,9-10H2,2H3/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol?
2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol has a molecular weight of 190.24 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol is sourced from PubChem (CID 97289363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).