1-(4-ethenylphenoxy)-3,5-dimethylbenzene

C16H16O — CID 141340670

IUPAC1-(4-ethenylphenoxy)-3,5-dimethylbenzene
SMILESC=Cc1ccc(Oc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C16H16O/c1-4-14-5-7-15(8-6-14)17-16-10-12(2)9-13(3)11-16/h4-11H,1H2,2-3H3
InChIKeyOHCJTAIRINEXHN-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.74
Rot. Bonds3

About 1-(4-ethenylphenoxy)-3,5-dimethylbenzene

1-(4-ethenylphenoxy)-3,5-dimethylbenzene (PubChem CID 141340670) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(4-ethenylphenoxy)-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-(4-ethenylphenoxy)-3,5-dimethylbenzene
PubChem CID141340670
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-(4-ethenylphenoxy)-3,5-dimethylbenzene
SMILESC=Cc1ccc(Oc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C16H16O/c1-4-14-5-7-15(8-6-14)17-16-10-12(2)9-13(3)11-16/h4-11H,1H2,2-3H3
InChIKeyOHCJTAIRINEXHN-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenoxy)-3,5-dimethylbenzene?
The IUPAC name of 1-(4-ethenylphenoxy)-3,5-dimethylbenzene (CID 141340670) is 1-(4-ethenylphenoxy)-3,5-dimethylbenzene.
What is the SMILES notation for 1-(4-ethenylphenoxy)-3,5-dimethylbenzene?
The canonical SMILES for 1-(4-ethenylphenoxy)-3,5-dimethylbenzene is C=Cc1ccc(Oc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-(4-ethenylphenoxy)-3,5-dimethylbenzene?
The InChIKey is OHCJTAIRINEXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-4-14-5-7-15(8-6-14)17-16-10-12(2)9-13(3)11-16/h4-11H,1H2,2-3H3.
What are the key properties of 1-(4-ethenylphenoxy)-3,5-dimethylbenzene?
1-(4-ethenylphenoxy)-3,5-dimethylbenzene has a molecular weight of 224.30 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenoxy)-3,5-dimethylbenzene is sourced from PubChem (CID 141340670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).