2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene

C24H21F — CID 163541849

IUPAC2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene
SMILESCCCc1ccc(C#Cc2ccc(-c3ccc(C)cc3)cc2)c(F)c1
InChIInChI=1S/C24H21F/c1-3-4-20-10-16-23(24(25)17-20)15-9-19-7-13-22(14-8-19)21-11-5-18(2)6-12-21/h5-8,10-14,16-17H,3-4H2,1-2H3
InChIKeyFBTZESISAVSXSG-UHFFFAOYSA-N
MW328.43 g/mol
LogP6.15
Rot. Bonds3

About 2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene

2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene (PubChem CID 163541849) has the molecular formula C24H21F and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene.

Molecular Properties

Compound Name2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene
PubChem CID163541849
Molecular FormulaC24H21F
Molecular Weight328.43 g/mol
Exact Mass328.16
IUPAC Name2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene
SMILESCCCc1ccc(C#Cc2ccc(-c3ccc(C)cc3)cc2)c(F)c1
InChIInChI=1S/C24H21F/c1-3-4-20-10-16-23(24(25)17-20)15-9-19-7-13-22(14-8-19)21-11-5-18(2)6-12-21/h5-8,10-14,16-17H,3-4H2,1-2H3
InChIKeyFBTZESISAVSXSG-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.43
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-fluoro-1-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 22112344
2-fluoro-1-[2-(3-fluoro-4-methylphenyl)ethynyl]-4-[2-(4-propylphenyl)ethynyl]benzene
CID 22112209
2-fluoro-1-[2-(4-heptylphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene
CID 54074028
1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-4-methylbenzene
CID 22112182
2,3-difluoro-6-[2-(2-fluoro-4-propylphenyl)ethynyl]naphthalene
CID 139846949
2-fluoro-4-methyl-1-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 22112514
2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]-1-[2-(4-methylphenyl)ethynyl]benzene
CID 21136689
4-[2-[2-fluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 54294239
2,3-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethynyl]phenyl]naphthalene
CID 139846966
1-methyl-4-[2-[4-[2-(4-propylphenyl)ethyl]phenyl]ethynyl]benzene
CID 139767054
1,2,4,5-tetrafluoro-3-[4-[2-(4-methylphenyl)ethynyl]phenyl]-6-(4-propylphenyl)benzene
CID 139618170
4-chloro-2-fluoro-1-[2-[4-(4-hexylphenyl)phenyl]ethynyl]benzene
CID 139730162

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene?
The IUPAC name of 2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene (CID 163541849) is 2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene.
What is the SMILES notation for 2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene?
The canonical SMILES for 2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene is CCCc1ccc(C#Cc2ccc(-c3ccc(C)cc3)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene?
The InChIKey is FBTZESISAVSXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F/c1-3-4-20-10-16-23(24(25)17-20)15-9-19-7-13-22(14-8-19)21-11-5-18(2)6-12-21/h5-8,10-14,16-17H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene?
2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene has a molecular weight of 328.43 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene is sourced from PubChem (CID 163541849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).