1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene

C22H21Cl — CID 23391145

IUPAC1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene
SMILESCCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C22H21Cl/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23)16-14-21/h5-16H,2-4H2,1H3
InChIKeyHRBDBWCEVWZORX-UHFFFAOYSA-N
MW320.86 g/mol
LogP7.02
Rot. Bonds5

About 1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene

1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene (PubChem CID 23391145) has the molecular formula C22H21Cl and a molecular weight of 320.86 g/mol. Its IUPAC name is 1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene.

Molecular Properties

Compound Name1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene
PubChem CID23391145
Molecular FormulaC22H21Cl
Molecular Weight320.86 g/mol
Exact Mass320.13
IUPAC Name1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene
SMILESCCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C22H21Cl/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23)16-14-21/h5-16H,2-4H2,1H3
InChIKeyHRBDBWCEVWZORX-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.86
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene?
The IUPAC name of 1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene (CID 23391145) is 1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene.
What is the SMILES notation for 1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene?
The canonical SMILES for 1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene is CCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene?
The InChIKey is HRBDBWCEVWZORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23)16-14-21/h5-16H,2-4H2,1H3.
What are the key properties of 1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene?
1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene has a molecular weight of 320.86 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[4-(4-chlorophenyl)phenyl]benzene is sourced from PubChem (CID 23391145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).