2-(3-phenylprop-2-ynoxy)oxane

C14H16O2 — CID 11665682

IUPAC2-(3-phenylprop-2-ynoxy)oxane
SMILESC(#Cc1ccccc1)COC1CCCCO1
InChIInChI=1S/C14H16O2/c1-2-7-13(8-3-1)9-6-12-16-14-10-4-5-11-15-14/h1-3,7-8,14H,4-5,10-12H2
InChIKeyXUAWRPGYBOPXTL-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.58
Rot. Bonds2

About 2-(3-phenylprop-2-ynoxy)oxane

2-(3-phenylprop-2-ynoxy)oxane (PubChem CID 11665682) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(3-phenylprop-2-ynoxy)oxane.

Molecular Properties

Compound Name2-(3-phenylprop-2-ynoxy)oxane
PubChem CID11665682
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-(3-phenylprop-2-ynoxy)oxane
SMILESC(#Cc1ccccc1)COC1CCCCO1
InChIInChI=1S/C14H16O2/c1-2-7-13(8-3-1)9-6-12-16-14-10-4-5-11-15-14/h1-3,7-8,14H,4-5,10-12H2
InChIKeyXUAWRPGYBOPXTL-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(oxan-2-yloxy)prop-1-ynyl]benzonitrile
CID 166449331
2-(4-phenoxybut-2-ynoxy)oxane
CID 19849494
2-[3-(3-ethylphenyl)prop-2-ynoxy]oxane
CID 59407658
2-(3-naphthalen-1-ylprop-2-ynoxy)oxane
CID 146003722
[2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol
CID 15647828
(1S)-4-(oxan-2-yloxy)-1-phenylbut-2-yn-1-ol
CID 165344268
2-[3-(4-chloro-3-methylphenyl)prop-2-ynoxy]oxane
CID 146002992
2-[3-(4-fluoro-3-methylphenyl)prop-2-ynoxy]oxane
CID 59407505
2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine
CID 155226523
2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane
CID 71520522
2-(2-phenoxyethoxy)oxane
CID 11736193
2-(oxan-2-yloxymethyl)-3-(2-phenylethynyl)-1H-indole
CID 11198338

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-ynoxy)oxane?
The IUPAC name of 2-(3-phenylprop-2-ynoxy)oxane (CID 11665682) is 2-(3-phenylprop-2-ynoxy)oxane.
What is the SMILES notation for 2-(3-phenylprop-2-ynoxy)oxane?
The canonical SMILES for 2-(3-phenylprop-2-ynoxy)oxane is C(#Cc1ccccc1)COC1CCCCO1.
What is the InChIKey of 2-(3-phenylprop-2-ynoxy)oxane?
The InChIKey is XUAWRPGYBOPXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-7-13(8-3-1)9-6-12-16-14-10-4-5-11-15-14/h1-3,7-8,14H,4-5,10-12H2.
What are the key properties of 2-(3-phenylprop-2-ynoxy)oxane?
2-(3-phenylprop-2-ynoxy)oxane has a molecular weight of 216.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-ynoxy)oxane is sourced from PubChem (CID 11665682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).