1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene

C25H25F — CID 76678385

IUPAC1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene
SMILESCC=CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2)cc1
InChIInChI=1S/C25H25F/c1-3-5-6-7-20-10-12-21(13-11-20)23-16-17-24(25(26)18-23)22-14-8-19(4-2)9-15-22/h3,5,8-18H,4,6-7H2,1-2H3
InChIKeyOOEWGMFONPTPMU-UHFFFAOYSA-N
MW344.47 g/mol
LogP7.23
Rot. Bonds6

About 1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene

1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene (PubChem CID 76678385) has the molecular formula C25H25F and a molecular weight of 344.47 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene
PubChem CID76678385
Molecular FormulaC25H25F
Molecular Weight344.47 g/mol
Exact Mass344.19
IUPAC Name1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene
SMILESCC=CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2)cc1
InChIInChI=1S/C25H25F/c1-3-5-6-7-20-10-12-21(13-11-20)23-16-17-24(25(26)18-23)22-14-8-19(4-2)9-15-22/h3,5,8-18H,4,6-7H2,1-2H3
InChIKeyOOEWGMFONPTPMU-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.47
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 144644200
1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 161078313
4-[3-fluoro-4-[4-[(E)-pent-3-enyl]phenyl]phenyl]benzenethiol
CID 129130534
1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane
CID 158373412
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
2-fluoro-4-methyl-1-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]phenyl]benzene
CID 139764838
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 76621394
4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene
CID 59307258
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene?
The IUPAC name of 1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene (CID 76678385) is 1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene.
What is the SMILES notation for 1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene?
The canonical SMILES for 1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene is CC=CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene?
The InChIKey is OOEWGMFONPTPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F/c1-3-5-6-7-20-10-12-21(13-11-20)23-16-17-24(25(26)18-23)22-14-8-19(4-2)9-15-22/h3,5,8-18H,4,6-7H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene?
1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene has a molecular weight of 344.47 g/mol, XLogP of 7.23, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene is sourced from PubChem (CID 76678385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).