4-ethenylphenol;2-(4-ethenylphenyl)oxane

C21H24O2 — CID 131719203

IUPAC4-ethenylphenol;2-(4-ethenylphenyl)oxane
SMILESC=Cc1ccc(C2CCCCO2)cc1.C=Cc1ccc(O)cc1
InChIInChI=1S/C13H16O.C8H8O/c1-2-11-6-8-12(9-7-11)13-5-3-4-10-14-13;1-2-7-3-5-8(9)6-4-7/h2,6-9,13H,1,3-5,10H2;2-6,9H,1H2
InChIKeyUUYAPNHBFGIHBI-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.61
Rot. Bonds3

About 4-ethenylphenol;2-(4-ethenylphenyl)oxane

4-ethenylphenol;2-(4-ethenylphenyl)oxane (PubChem CID 131719203) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-ethenylphenol;2-(4-ethenylphenyl)oxane.

Molecular Properties

Compound Name4-ethenylphenol;2-(4-ethenylphenyl)oxane
PubChem CID131719203
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name4-ethenylphenol;2-(4-ethenylphenyl)oxane
SMILESC=Cc1ccc(C2CCCCO2)cc1.C=Cc1ccc(O)cc1
InChIInChI=1S/C13H16O.C8H8O/c1-2-11-6-8-12(9-7-11)13-5-3-4-10-14-13;1-2-7-3-5-8(9)6-4-7/h2,6-9,13H,1,3-5,10H2;2-6,9H,1H2
InChIKeyUUYAPNHBFGIHBI-UHFFFAOYSA-N
XLogP5.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethenylphenyl)oxane
CID 67163438
2-(4-ethenylphenyl)oxetane
CID 77480755
2-(4-prop-1-en-2-ylphenyl)oxane
CID 151047366
2-(4-ethenylphenyl)-1,3-dioxane
CID 69099631
2-(4-ethynylphenyl)oxane
CID 139689024
1-cyclohexyl-4-ethenylbenzene
CID 21225537
(4-ethenylphenyl)cyclooctane
CID 19849973
(2R)-2-(4-chlorophenyl)oxolane
CID 54328866
ethane;ethene;4-ethenylphenol
CID 178000559
2-(4-chlorophenyl)oxolane;formaldehyde
CID 169170436
CID 22340565
CID 22340565
4-ethenylphenol;propan-2-ol
CID 159910746

Frequently Asked Questions

What is the IUPAC name of 4-ethenylphenol;2-(4-ethenylphenyl)oxane?
The IUPAC name of 4-ethenylphenol;2-(4-ethenylphenyl)oxane (CID 131719203) is 4-ethenylphenol;2-(4-ethenylphenyl)oxane.
What is the SMILES notation for 4-ethenylphenol;2-(4-ethenylphenyl)oxane?
The canonical SMILES for 4-ethenylphenol;2-(4-ethenylphenyl)oxane is C=Cc1ccc(C2CCCCO2)cc1.C=Cc1ccc(O)cc1.
What is the InChIKey of 4-ethenylphenol;2-(4-ethenylphenyl)oxane?
The InChIKey is UUYAPNHBFGIHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O.C8H8O/c1-2-11-6-8-12(9-7-11)13-5-3-4-10-14-13;1-2-7-3-5-8(9)6-4-7/h2,6-9,13H,1,3-5,10H2;2-6,9H,1H2.
What are the key properties of 4-ethenylphenol;2-(4-ethenylphenyl)oxane?
4-ethenylphenol;2-(4-ethenylphenyl)oxane has a molecular weight of 308.42 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylphenol;2-(4-ethenylphenyl)oxane is sourced from PubChem (CID 131719203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).