1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane

C25H34O — CID 144776669

IUPAC1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane
SMILESC=Cc1cc(/C=C/c2ccc(C)cc2)cc(OC(C)(C)C)c1.CC(C)C
InChIInChI=1S/C21H24O.C4H10/c1-6-17-13-19(15-20(14-17)22-21(3,4)5)12-11-18-9-7-16(2)8-10-18;1-4(2)3/h6-15H,1H2,2-5H3;4H,1-3H3/b12-11+;
InChIKeyVANJWFXIEPTNND-CALJPSDSSA-N
MW350.55 g/mol
LogP7.65
Rot. Bonds4

About 1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane

1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane (PubChem CID 144776669) has the molecular formula C25H34O and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane.

Molecular Properties

Compound Name1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane
PubChem CID144776669
Molecular FormulaC25H34O
Molecular Weight350.55 g/mol
Exact Mass350.26
IUPAC Name1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane
SMILESC=Cc1cc(/C=C/c2ccc(C)cc2)cc(OC(C)(C)C)c1.CC(C)C
InChIInChI=1S/C21H24O.C4H10/c1-6-17-13-19(15-20(14-17)22-21(3,4)5)12-11-18-9-7-16(2)8-10-18;1-4(2)3/h6-15H,1H2,2-5H3;4H,1-3H3/b12-11+;
InChIKeyVANJWFXIEPTNND-CALJPSDSSA-N
XLogP7.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane?
The IUPAC name of 1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane (CID 144776669) is 1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane.
What is the SMILES notation for 1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane?
The canonical SMILES for 1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane is C=Cc1cc(/C=C/c2ccc(C)cc2)cc(OC(C)(C)C)c1.CC(C)C.
What is the InChIKey of 1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane?
The InChIKey is VANJWFXIEPTNND-CALJPSDSSA-N. The full InChI is InChI=1S/C21H24O.C4H10/c1-6-17-13-19(15-20(14-17)22-21(3,4)5)12-11-18-9-7-16(2)8-10-18;1-4(2)3/h6-15H,1H2,2-5H3;4H,1-3H3/b12-11+;.
What are the key properties of 1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane?
1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane has a molecular weight of 350.55 g/mol, XLogP of 7.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane is sourced from PubChem (CID 144776669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).