1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene

C22H20 — CID 144681083

IUPAC1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(/C=C/Cc3ccccc3)cc2)cc1
InChIInChI=1S/C22H20/c1-18-10-14-21(15-11-18)22-16-12-20(13-17-22)9-5-8-19-6-3-2-4-7-19/h2-7,9-17H,8H2,1H3/b9-5+
InChIKeyRSYHZMHLOVVTJL-WEVVVXLNSA-N
MW284.40 g/mol
LogP5.92
Rot. Bonds4

About 1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene

1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene (PubChem CID 144681083) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene
PubChem CID144681083
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Name1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(/C=C/Cc3ccccc3)cc2)cc1
InChIInChI=1S/C22H20/c1-18-10-14-21(15-11-18)22-16-12-20(13-17-22)9-5-8-19-6-3-2-4-7-19/h2-7,9-17H,8H2,1H3/b9-5+
InChIKeyRSYHZMHLOVVTJL-WEVVVXLNSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Anthracene
CID 8418
Phenanthrene
CID 995
P-Cymene
CID 7463
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
M-Terphenyl
CID 7076
4-tert-Butyltoluene
CID 7390
1,4-Diethylbenzene
CID 7734
p-Terphenyl
CID 7115
4-Methylbiphenyl
CID 12566
5-Methylchrysene
CID 19427

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene?
The IUPAC name of 1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene (CID 144681083) is 1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene is Cc1ccc(-c2ccc(/C=C/Cc3ccccc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene?
The InChIKey is RSYHZMHLOVVTJL-WEVVVXLNSA-N. The full InChI is InChI=1S/C22H20/c1-18-10-14-21(15-11-18)22-16-12-20(13-17-22)9-5-8-19-6-3-2-4-7-19/h2-7,9-17H,8H2,1H3/b9-5+.
What are the key properties of 1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene?
1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene has a molecular weight of 284.40 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene is sourced from PubChem (CID 144681083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).