3-ethyl-1-(2-fluorophenyl)-2-phenyl-4-propylbenzene

C23H23F — CID 163214764

IUPAC3-ethyl-1-(2-fluorophenyl)-2-phenyl-4-propylbenzene
SMILESCCCc1ccc(-c2ccccc2F)c(-c2ccccc2)c1CC
InChIInChI=1S/C23H23F/c1-3-10-17-15-16-21(20-13-8-9-14-22(20)24)23(19(17)4-2)18-11-6-5-7-12-18/h5-9,11-16H,3-4,10H2,1-2H3
InChIKeyUFISEMGDHPQXNT-UHFFFAOYSA-N
MW318.44 g/mol
LogP6.67
Rot. Bonds5

About 3-ethyl-1-(2-fluorophenyl)-2-phenyl-4-propylbenzene

3-ethyl-1-(2-fluorophenyl)-2-phenyl-4-propylbenzene (PubChem CID 163214764) has the molecular formula C23H23F and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-ethyl-1-(2-fluorophenyl)-2-phenyl-4-propylbenzene.

Molecular Properties

Compound Name3-ethyl-1-(2-fluorophenyl)-2-phenyl-4-propylbenzene
PubChem CID163214764
Molecular FormulaC23H23F
Molecular Weight318.44 g/mol
Exact Mass318.18
IUPAC Name3-ethyl-1-(2-fluorophenyl)-2-phenyl-4-propylbenzene
SMILESCCCc1ccc(-c2ccccc2F)c(-c2ccccc2)c1CC
InChIInChI=1S/C23H23F/c1-3-10-17-15-16-21(20-13-8-9-14-22(20)24)23(19(17)4-2)18-11-6-5-7-12-18/h5-9,11-16H,3-4,10H2,1-2H3
InChIKeyUFISEMGDHPQXNT-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.44
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-fluorophenyl)-2-phenyl-4-propylbenzene?
The IUPAC name of 3-ethyl-1-(2-fluorophenyl)-2-phenyl-4-propylbenzene (CID 163214764) is 3-ethyl-1-(2-fluorophenyl)-2-phenyl-4-propylbenzene.
What is the SMILES notation for 3-ethyl-1-(2-fluorophenyl)-2-phenyl-4-propylbenzene?
The canonical SMILES for 3-ethyl-1-(2-fluorophenyl)-2-phenyl-4-propylbenzene is CCCc1ccc(-c2ccccc2F)c(-c2ccccc2)c1CC.
What is the InChIKey of 3-ethyl-1-(2-fluorophenyl)-2-phenyl-4-propylbenzene?
The InChIKey is UFISEMGDHPQXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F/c1-3-10-17-15-16-21(20-13-8-9-14-22(20)24)23(19(17)4-2)18-11-6-5-7-12-18/h5-9,11-16H,3-4,10H2,1-2H3.
What are the key properties of 3-ethyl-1-(2-fluorophenyl)-2-phenyl-4-propylbenzene?
3-ethyl-1-(2-fluorophenyl)-2-phenyl-4-propylbenzene has a molecular weight of 318.44 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-fluorophenyl)-2-phenyl-4-propylbenzene is sourced from PubChem (CID 163214764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).