2-(4-ethynyl-2-methylphenoxy)oxane

C14H16O2 — CID 22991499

IUPAC2-(4-ethynyl-2-methylphenoxy)oxane
SMILESC#Cc1ccc(OC2CCCCO2)c(C)c1
InChIInChI=1S/C14H16O2/c1-3-12-7-8-13(11(2)10-12)16-14-6-4-5-9-15-14/h1,7-8,10,14H,4-6,9H2,2H3
InChIKeyUDASZSRUPNGQNJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.88
Rot. Bonds2

About 2-(4-ethynyl-2-methylphenoxy)oxane

2-(4-ethynyl-2-methylphenoxy)oxane (PubChem CID 22991499) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(4-ethynyl-2-methylphenoxy)oxane.

Molecular Properties

Compound Name2-(4-ethynyl-2-methylphenoxy)oxane
PubChem CID22991499
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-(4-ethynyl-2-methylphenoxy)oxane
SMILESC#Cc1ccc(OC2CCCCO2)c(C)c1
InChIInChI=1S/C14H16O2/c1-3-12-7-8-13(11(2)10-12)16-14-6-4-5-9-15-14/h1,7-8,10,14H,4-6,9H2,2H3
InChIKeyUDASZSRUPNGQNJ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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

1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone
CID 58975274
2-(2,5-dimethylphenoxy)oxane
CID 15305690
(2S)-2-(2-ethynylphenoxy)oxane
CID 86326828
1-(cyclohexylmethoxy)-4-ethynyl-2-methylbenzene
CID 138962091
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
(2S)-2-(2,3-diethynylphenoxy)oxane
CID 102172990
2-(3,4-dimethylphenoxy)oxane
CID 10987441
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
[4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid
CID 25242206
2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane
CID 15701095
4-cyclopentyloxy-3-methylbenzonitrile
CID 60929177
2-[6-(4-ethynylphenoxy)hexoxy]oxane
CID 22709077

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethynyl-2-methylphenoxy)oxane?
The IUPAC name of 2-(4-ethynyl-2-methylphenoxy)oxane (CID 22991499) is 2-(4-ethynyl-2-methylphenoxy)oxane.
What is the SMILES notation for 2-(4-ethynyl-2-methylphenoxy)oxane?
The canonical SMILES for 2-(4-ethynyl-2-methylphenoxy)oxane is C#Cc1ccc(OC2CCCCO2)c(C)c1.
What is the InChIKey of 2-(4-ethynyl-2-methylphenoxy)oxane?
The InChIKey is UDASZSRUPNGQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-12-7-8-13(11(2)10-12)16-14-6-4-5-9-15-14/h1,7-8,10,14H,4-6,9H2,2H3.
What are the key properties of 2-(4-ethynyl-2-methylphenoxy)oxane?
2-(4-ethynyl-2-methylphenoxy)oxane has a molecular weight of 216.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethynyl-2-methylphenoxy)oxane is sourced from PubChem (CID 22991499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).