(2S)-2-(2,3-diethynylphenoxy)oxane

C15H14O2 — CID 102172990

IUPAC(2S)-2-(2,3-diethynylphenoxy)oxane
SMILESC#Cc1cccc(O[C@H]2CCCCO2)c1C#C
InChIInChI=1S/C15H14O2/c1-3-12-8-7-9-14(13(12)4-2)17-15-10-5-6-11-16-15/h1-2,7-9,15H,5-6,10-11H2/t15-/m0/s1
InChIKeyFBQDKZWECGKGSZ-HNNXBMFYSA-N
MW226.28 g/mol
LogP2.55
Rot. Bonds2

About (2S)-2-(2,3-diethynylphenoxy)oxane

(2S)-2-(2,3-diethynylphenoxy)oxane (PubChem CID 102172990) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S)-2-(2,3-diethynylphenoxy)oxane.

Molecular Properties

Compound Name(2S)-2-(2,3-diethynylphenoxy)oxane
PubChem CID102172990
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name(2S)-2-(2,3-diethynylphenoxy)oxane
SMILESC#Cc1cccc(O[C@H]2CCCCO2)c1C#C
InChIInChI=1S/C15H14O2/c1-3-12-8-7-9-14(13(12)4-2)17-15-10-5-6-11-16-15/h1-2,7-9,15H,5-6,10-11H2/t15-/m0/s1
InChIKeyFBQDKZWECGKGSZ-HNNXBMFYSA-N
XLogP2.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.55
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

(2S)-2-(2-ethynylphenoxy)oxane
CID 86326828
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
2-[2-(2-fluoroethynyl)phenoxy]oxane
CID 139891830
2-(oxan-2-yloxy)-6-(trifluoromethyl)benzenethiol
CID 141392854
2-(4-ethynyl-2-methylphenoxy)oxane
CID 22991499
2-(2-ethenylphenoxy)oxecane
CID 139905565
5-(oxan-2-yloxy)naphthalene-2-carbonitrile
CID 67656854
1-[2-[2-nitro-6-(oxan-2-yloxy)phenyl]ethenyl]pyrrolidine
CID 175361759
4-fluoro-2-(oxan-2-yloxy)aniline
CID 155295982
2-(3-bromophenoxy)oxane
CID 5067264
2-(2,5-dimethylphenoxy)oxane
CID 15305690
2-(2-ethenylphenoxy)oxolane
CID 18792586

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-diethynylphenoxy)oxane?
The IUPAC name of (2S)-2-(2,3-diethynylphenoxy)oxane (CID 102172990) is (2S)-2-(2,3-diethynylphenoxy)oxane.
What is the SMILES notation for (2S)-2-(2,3-diethynylphenoxy)oxane?
The canonical SMILES for (2S)-2-(2,3-diethynylphenoxy)oxane is C#Cc1cccc(O[C@H]2CCCCO2)c1C#C.
What is the InChIKey of (2S)-2-(2,3-diethynylphenoxy)oxane?
The InChIKey is FBQDKZWECGKGSZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H14O2/c1-3-12-8-7-9-14(13(12)4-2)17-15-10-5-6-11-16-15/h1-2,7-9,15H,5-6,10-11H2/t15-/m0/s1.
What are the key properties of (2S)-2-(2,3-diethynylphenoxy)oxane?
(2S)-2-(2,3-diethynylphenoxy)oxane has a molecular weight of 226.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-diethynylphenoxy)oxane is sourced from PubChem (CID 102172990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).