1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene

C23H23Cl — CID 23391119

IUPAC1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C23H23Cl/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h6-17H,2-5H2,1H3
InChIKeyABCXIBFCBRIYIH-UHFFFAOYSA-N
MW334.89 g/mol
LogP7.41
Rot. Bonds6

About 1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene

1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene (PubChem CID 23391119) has the molecular formula C23H23Cl and a molecular weight of 334.89 g/mol. Its IUPAC name is 1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene
PubChem CID23391119
Molecular FormulaC23H23Cl
Molecular Weight334.89 g/mol
Exact Mass334.15
IUPAC Name1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C23H23Cl/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h6-17H,2-5H2,1H3
InChIKeyABCXIBFCBRIYIH-UHFFFAOYSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.89
LogP ≤ 57.41
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 1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene?
The IUPAC name of 1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene (CID 23391119) is 1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene?
The canonical SMILES for 1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene is CCCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene?
The InChIKey is ABCXIBFCBRIYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h6-17H,2-5H2,1H3.
What are the key properties of 1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene?
1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene has a molecular weight of 334.89 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-(4-pentylphenyl)phenyl]benzene is sourced from PubChem (CID 23391119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).