2-(3-phenylhex-5-ynoxy)oxane

C17H22O2 — CID 10658882

IUPAC2-(3-phenylhex-5-ynoxy)oxane
SMILESC#CCC(CCOC1CCCCO1)c1ccccc1
InChIInChI=1S/C17H22O2/c1-2-8-15(16-9-4-3-5-10-16)12-14-19-17-11-6-7-13-18-17/h1,3-5,9-10,15,17H,6-8,11-14H2
InChIKeyPNWXWUFXFOIRDL-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.73
Rot. Bonds6

About 2-(3-phenylhex-5-ynoxy)oxane

2-(3-phenylhex-5-ynoxy)oxane (PubChem CID 10658882) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(3-phenylhex-5-ynoxy)oxane.

Molecular Properties

Compound Name2-(3-phenylhex-5-ynoxy)oxane
PubChem CID10658882
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2-(3-phenylhex-5-ynoxy)oxane
SMILESC#CCC(CCOC1CCCCO1)c1ccccc1
InChIInChI=1S/C17H22O2/c1-2-8-15(16-9-4-3-5-10-16)12-14-19-17-11-6-7-13-18-17/h1,3-5,9-10,15,17H,6-8,11-14H2
InChIKeyPNWXWUFXFOIRDL-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.73
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

2-(3-phenylhept-6-ynoxy)oxane
CID 10683626
2-(2-phenoxyethoxy)oxane
CID 11736193
(1S)-4-(oxan-2-yloxy)-1-phenylbut-2-yn-1-ol
CID 165344268
benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918
3-[2-(oxan-2-yloxy)ethoxy]-1-phenylazetidine
CID 121451893
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
CID 67866640
2-[(3S)-3-methyl-8-phenylmethoxyoctoxy]oxane
CID 11977298
(1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol
CID 14199162

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylhex-5-ynoxy)oxane?
The IUPAC name of 2-(3-phenylhex-5-ynoxy)oxane (CID 10658882) is 2-(3-phenylhex-5-ynoxy)oxane.
What is the SMILES notation for 2-(3-phenylhex-5-ynoxy)oxane?
The canonical SMILES for 2-(3-phenylhex-5-ynoxy)oxane is C#CCC(CCOC1CCCCO1)c1ccccc1.
What is the InChIKey of 2-(3-phenylhex-5-ynoxy)oxane?
The InChIKey is PNWXWUFXFOIRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-2-8-15(16-9-4-3-5-10-16)12-14-19-17-11-6-7-13-18-17/h1,3-5,9-10,15,17H,6-8,11-14H2.
What are the key properties of 2-(3-phenylhex-5-ynoxy)oxane?
2-(3-phenylhex-5-ynoxy)oxane has a molecular weight of 258.36 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylhex-5-ynoxy)oxane is sourced from PubChem (CID 10658882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).