2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane

C19H24O4 — CID 101054180

IUPAC2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane
SMILESC(#CC(CCOCC1CO1)OC1CCCCO1)c1ccccc1
InChIInChI=1S/C19H24O4/c1-2-6-16(7-3-1)9-10-17(11-13-20-14-18-15-22-18)23-19-8-4-5-12-21-19/h1-3,6-7,17-19H,4-5,8,11-15H2
InChIKeyMUQWUKZLRFLCAN-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.76
Rot. Bonds7

About 2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane

2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane (PubChem CID 101054180) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane.

Molecular Properties

Compound Name2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane
PubChem CID101054180
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane
SMILESC(#CC(CCOCC1CO1)OC1CCCCO1)c1ccccc1
InChIInChI=1S/C19H24O4/c1-2-6-16(7-3-1)9-10-17(11-13-20-14-18-15-22-18)23-19-8-4-5-12-21-19/h1-3,6-7,17-19H,4-5,8,11-15H2
InChIKeyMUQWUKZLRFLCAN-UHFFFAOYSA-N
XLogP2.76
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane 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

2-[(2-phenoxy-4-phenylbut-3-ynoxy)methyl]oxirane
CID 101054183
2-(3-phenylprop-2-ynoxy)oxane
CID 11665682
2-(oxan-2-yloxy)-3-phenylpropanenitrile
CID 14767297
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579
2-(2-phenoxyethoxy)oxane
CID 11736193
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]oxane
CID 174209322
2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane
CID 160594356
2-(4-trityloxybutoxymethyl)oxirane
CID 19992449
2-[6-(4-phenylphenoxy)hexoxymethyl]oxirane
CID 100977910
(5S)-4,4-dimethyl-5-(oxan-2-yloxy)-7-phenylmethoxyheptan-3-one
CID 139931637
(2S)-2-[[(2R)-oxiran-2-yl]methoxy]oxane
CID 92982921

Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane?
The IUPAC name of 2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane (CID 101054180) is 2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane.
What is the SMILES notation for 2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane?
The canonical SMILES for 2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane is C(#CC(CCOCC1CO1)OC1CCCCO1)c1ccccc1.
What is the InChIKey of 2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane?
The InChIKey is MUQWUKZLRFLCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-2-6-16(7-3-1)9-10-17(11-13-20-14-18-15-22-18)23-19-8-4-5-12-21-19/h1-3,6-7,17-19H,4-5,8,11-15H2.
What are the key properties of 2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane?
2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane has a molecular weight of 316.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxiran-2-ylmethoxy)-1-phenylpent-1-yn-3-yl]oxyoxane is sourced from PubChem (CID 101054180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).