1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene

C22H20 — CID 58019403

IUPAC1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
SMILESCC(=Cc1ccc(C)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20/c1-17-8-10-19(11-9-17)16-18(2)20-12-14-22(15-13-20)21-6-4-3-5-7-21/h3-16H,1-2H3
InChIKeyAIUBPWUTKFKMLJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP6.22
Rot. Bonds3

About 1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene

1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene (PubChem CID 58019403) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
PubChem CID58019403
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Name1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
SMILESCC(=Cc1ccc(C)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20/c1-17-8-10-19(11-9-17)16-18(2)20-12-14-22(15-13-20)21-6-4-3-5-7-21/h3-16H,1-2H3
InChIKeyAIUBPWUTKFKMLJ-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
CID 101427630
4-methyl-N-(4-methylphenyl)-N-[4-[4-[1-[4-(N-phenylanilino)phenyl]prop-1-en-2-yl]phenyl]phenyl]aniline
CID 76600728
bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane
CID 160728696
4-(2-phenylprop-1-enyl)phenol
CID 54547938
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene
CID 15520037
1,1,4,4-tetramethyl-6-[(Z)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
CID 18990095
1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
CID 14425582
1-(1-fluoroprop-1-en-2-yl)-4-phenylbenzene
CID 134863084
1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene
CID 156672934
2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene
CID 71053887
tetrakis[4-[2-[4-(4-methylphenyl)phenyl]-1-phenylethenyl]phenyl]germane
CID 154407148

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene?
The IUPAC name of 1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene (CID 58019403) is 1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene?
The canonical SMILES for 1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene is CC(=Cc1ccc(C)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene?
The InChIKey is AIUBPWUTKFKMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20/c1-17-8-10-19(11-9-17)16-18(2)20-12-14-22(15-13-20)21-6-4-3-5-7-21/h3-16H,1-2H3.
What are the key properties of 1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene?
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene has a molecular weight of 284.40 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene is sourced from PubChem (CID 58019403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).