1,3-difluoro-5-methyl-2-[1-[4-(4-methylphenyl)phenyl]prop-1-en-2-yl]benzene

C23H20F2 — CID 123971474

IUPAC1,3-difluoro-5-methyl-2-[1-[4-(4-methylphenyl)phenyl]prop-1-en-2-yl]benzene
SMILESCC(=Cc1ccc(-c2ccc(C)cc2)cc1)c1c(F)cc(C)cc1F
InChIInChI=1S/C23H20F2/c1-15-4-8-19(9-5-15)20-10-6-18(7-11-20)14-17(3)23-21(24)12-16(2)13-22(23)25/h4-14H,1-3H3
InChIKeyRNDZBEDQXLFCQZ-UHFFFAOYSA-N
MW334.41 g/mol
LogP6.81
Rot. Bonds3

About 1,3-difluoro-5-methyl-2-[1-[4-(4-methylphenyl)phenyl]prop-1-en-2-yl]benzene

1,3-difluoro-5-methyl-2-[1-[4-(4-methylphenyl)phenyl]prop-1-en-2-yl]benzene (PubChem CID 123971474) has the molecular formula C23H20F2 and a molecular weight of 334.41 g/mol. Its IUPAC name is 1,3-difluoro-5-methyl-2-[1-[4-(4-methylphenyl)phenyl]prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1,3-difluoro-5-methyl-2-[1-[4-(4-methylphenyl)phenyl]prop-1-en-2-yl]benzene
PubChem CID123971474
Molecular FormulaC23H20F2
Molecular Weight334.41 g/mol
Exact Mass334.15
IUPAC Name1,3-difluoro-5-methyl-2-[1-[4-(4-methylphenyl)phenyl]prop-1-en-2-yl]benzene
SMILESCC(=Cc1ccc(-c2ccc(C)cc2)cc1)c1c(F)cc(C)cc1F
InChIInChI=1S/C23H20F2/c1-15-4-8-19(9-5-15)20-10-6-18(7-11-20)14-17(3)23-21(24)12-16(2)13-22(23)25/h4-14H,1-3H3
InChIKeyRNDZBEDQXLFCQZ-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.41
LogP ≤ 56.81
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

2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene
CID 71053887
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene
CID 158075827
1-(2,2-difluoroethenyl)-4-methylbenzene
CID 6424286
4-methyl-N-(4-methylphenyl)-N-[4-[4-[1-[4-(N-phenylanilino)phenyl]prop-1-en-2-yl]phenyl]phenyl]aniline
CID 76600728
(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368335
1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
CID 101427630
4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene
CID 58006826
1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene
CID 137449218
1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene
CID 15520037
1-(2,2-difluoroethenyl)-4-[4-(2,2-difluoroethenyl)phenyl]benzene
CID 129308082
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-methyl-2-[1-[4-(4-methylphenyl)phenyl]prop-1-en-2-yl]benzene?
The IUPAC name of 1,3-difluoro-5-methyl-2-[1-[4-(4-methylphenyl)phenyl]prop-1-en-2-yl]benzene (CID 123971474) is 1,3-difluoro-5-methyl-2-[1-[4-(4-methylphenyl)phenyl]prop-1-en-2-yl]benzene.
What is the SMILES notation for 1,3-difluoro-5-methyl-2-[1-[4-(4-methylphenyl)phenyl]prop-1-en-2-yl]benzene?
The canonical SMILES for 1,3-difluoro-5-methyl-2-[1-[4-(4-methylphenyl)phenyl]prop-1-en-2-yl]benzene is CC(=Cc1ccc(-c2ccc(C)cc2)cc1)c1c(F)cc(C)cc1F.
What is the InChIKey of 1,3-difluoro-5-methyl-2-[1-[4-(4-methylphenyl)phenyl]prop-1-en-2-yl]benzene?
The InChIKey is RNDZBEDQXLFCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2/c1-15-4-8-19(9-5-15)20-10-6-18(7-11-20)14-17(3)23-21(24)12-16(2)13-22(23)25/h4-14H,1-3H3.
What are the key properties of 1,3-difluoro-5-methyl-2-[1-[4-(4-methylphenyl)phenyl]prop-1-en-2-yl]benzene?
1,3-difluoro-5-methyl-2-[1-[4-(4-methylphenyl)phenyl]prop-1-en-2-yl]benzene has a molecular weight of 334.41 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-methyl-2-[1-[4-(4-methylphenyl)phenyl]prop-1-en-2-yl]benzene is sourced from PubChem (CID 123971474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).