2-chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene

C23H22ClF — CID 20663543

IUPAC2-chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(-c3ccc(CCCCF)cc3)cc2Cl)cc1
InChIInChI=1S/C23H22ClF/c1-17-5-9-20(10-6-17)22-14-13-21(16-23(22)24)19-11-7-18(8-12-19)4-2-3-15-25/h5-14,16H,2-4,15H2,1H3
InChIKeyFODZYYDPVLENLH-UHFFFAOYSA-N
MW352.88 g/mol
LogP7.27
Rot. Bonds6

About 2-chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene

2-chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene (PubChem CID 20663543) has the molecular formula C23H22ClF and a molecular weight of 352.88 g/mol. Its IUPAC name is 2-chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene.

Molecular Properties

Compound Name2-chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene
PubChem CID20663543
Molecular FormulaC23H22ClF
Molecular Weight352.88 g/mol
Exact Mass352.14
IUPAC Name2-chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(-c3ccc(CCCCF)cc3)cc2Cl)cc1
InChIInChI=1S/C23H22ClF/c1-17-5-9-20(10-6-17)22-14-13-21(16-23(22)24)19-11-7-18(8-12-19)4-2-3-15-25/h5-14,16H,2-4,15H2,1H3
InChIKeyFODZYYDPVLENLH-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.88
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene?
The IUPAC name of 2-chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene (CID 20663543) is 2-chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene.
What is the SMILES notation for 2-chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene?
The canonical SMILES for 2-chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene is Cc1ccc(-c2ccc(-c3ccc(CCCCF)cc3)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene?
The InChIKey is FODZYYDPVLENLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF/c1-17-5-9-20(10-6-17)22-14-13-21(16-23(22)24)19-11-7-18(8-12-19)4-2-3-15-25/h5-14,16H,2-4,15H2,1H3.
What are the key properties of 2-chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene?
2-chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene has a molecular weight of 352.88 g/mol, XLogP of 7.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(4-fluorobutyl)phenyl]-1-(4-methylphenyl)benzene is sourced from PubChem (CID 20663543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).