2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene

C17H17F — CID 71053887

IUPAC2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene
SMILESCC(=Cc1ccc(C)cc1)c1ccc(C)c(F)c1
InChIInChI=1S/C17H17F/c1-12-4-7-15(8-5-12)10-14(3)16-9-6-13(2)17(18)11-16/h4-11H,1-3H3
InChIKeyGOLJBFVFBFZPSH-UHFFFAOYSA-N
MW240.32 g/mol
LogP5.00
Rot. Bonds2

About 2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene

2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene (PubChem CID 71053887) has the molecular formula C17H17F and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene
PubChem CID71053887
Molecular FormulaC17H17F
Molecular Weight240.32 g/mol
Exact Mass240.13
IUPAC Name2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene
SMILESCC(=Cc1ccc(C)cc1)c1ccc(C)c(F)c1
InChIInChI=1S/C17H17F/c1-12-4-7-15(8-5-12)10-14(3)16-9-6-13(2)17(18)11-16/h4-11H,1-3H3
InChIKeyGOLJBFVFBFZPSH-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.32
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene?
The IUPAC name of 2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene (CID 71053887) is 2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene?
The canonical SMILES for 2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene is CC(=Cc1ccc(C)cc1)c1ccc(C)c(F)c1.
What is the InChIKey of 2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene?
The InChIKey is GOLJBFVFBFZPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F/c1-12-4-7-15(8-5-12)10-14(3)16-9-6-13(2)17(18)11-16/h4-11H,1-3H3.
What are the key properties of 2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene?
2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene has a molecular weight of 240.32 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-[1-(4-methylphenyl)prop-1-en-2-yl]benzene is sourced from PubChem (CID 71053887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).