ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene

C22H28O2 — CID 154957356

IUPACethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
SMILESC=CCc1ccccc1Oc1ccccc1CC=C.CCOCC
InChIInChI=1S/C18H18O.C4H10O/c1-3-9-15-11-5-7-13-17(15)19-18-14-8-6-12-16(18)10-4-2;1-3-5-4-2/h3-8,11-14H,1-2,9-10H2;3-4H2,1-2H3
InChIKeyCYSNLMBOOBJJBX-UHFFFAOYSA-N
MW324.46 g/mol
LogP5.98
Rot. Bonds8

About ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene

ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene (PubChem CID 154957356) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene.

Molecular Properties

Compound Nameethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
PubChem CID154957356
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Nameethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
SMILESC=CCc1ccccc1Oc1ccccc1CC=C.CCOCC
InChIInChI=1S/C18H18O.C4H10O/c1-3-9-15-11-5-7-13-17(15)19-18-14-8-6-12-16(18)10-4-2;1-3-5-4-2/h3-8,11-14H,1-2,9-10H2;3-4H2,1-2H3
InChIKeyCYSNLMBOOBJJBX-UHFFFAOYSA-N
XLogP5.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;(2-prop-2-enylphenoxy) hydrogen sulfate
CID 88606889
sodium;ethoxyethane;hydride;2-prop-2-enylphenol
CID 173000215
propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
CID 70576307
molecular nitrogen;1-phenoxy-2-prop-2-enylbenzene
CID 70452460
CID 15477926
CID 15477926
1-prop-2-enyl-2-propylperoxybenzene
CID 87336505
3-ethyl-5-(2-prop-2-enylphenoxy)-1,2,4-thiadiazole
CID 133425169
1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
CID 87155986
1-(2-prop-2-enylphenoxy)propan-1-ol
CID 70371312
1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene
CID 14224427
CID 13455471
CID 13455471
2-(2-methoxyphenoxy)-6-prop-2-enylphenol
CID 22672183

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene?
The IUPAC name of ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene (CID 154957356) is ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene.
What is the SMILES notation for ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene?
The canonical SMILES for ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene is C=CCc1ccccc1Oc1ccccc1CC=C.CCOCC.
What is the InChIKey of ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene?
The InChIKey is CYSNLMBOOBJJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O.C4H10O/c1-3-9-15-11-5-7-13-17(15)19-18-14-8-6-12-16(18)10-4-2;1-3-5-4-2/h3-8,11-14H,1-2,9-10H2;3-4H2,1-2H3.
What are the key properties of ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene?
ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene has a molecular weight of 324.46 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene is sourced from PubChem (CID 154957356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).