1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene

C17H18 — CID 102093677

IUPAC1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene
SMILESCC/C=C(\c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H18/c1-3-7-17(15-8-5-4-6-9-15)16-12-10-14(2)11-13-16/h4-13H,3H2,1-2H3/b17-7+
InChIKeyFTLTWZAEHVTWJM-REZTVBANSA-N
MW222.33 g/mol
LogP4.84
Rot. Bonds3

About 1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene

1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene (PubChem CID 102093677) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene
PubChem CID102093677
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene
SMILESCC/C=C(\c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H18/c1-3-7-17(15-8-5-4-6-9-15)16-12-10-14(2)11-13-16/h4-13H,3H2,1-2H3/b17-7+
InChIKeyFTLTWZAEHVTWJM-REZTVBANSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene?
The IUPAC name of 1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene (CID 102093677) is 1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene.
What is the SMILES notation for 1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene?
The canonical SMILES for 1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene is CC/C=C(\c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene?
The InChIKey is FTLTWZAEHVTWJM-REZTVBANSA-N. The full InChI is InChI=1S/C17H18/c1-3-7-17(15-8-5-4-6-9-15)16-12-10-14(2)11-13-16/h4-13H,3H2,1-2H3/b17-7+.
What are the key properties of 1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene?
1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene has a molecular weight of 222.33 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene is sourced from PubChem (CID 102093677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).