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

C19H15Cl — CID 23391118

IUPAC1-chloro-4-[4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C19H15Cl/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(20)13-11-18/h2-13H,1H3
InChIKeyJSHCAIOOBGHFKD-UHFFFAOYSA-N
MW278.78 g/mol
LogP5.98
Rot. Bonds2

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

1-chloro-4-[4-(4-methylphenyl)phenyl]benzene (PubChem CID 23391118) has the molecular formula C19H15Cl and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-chloro-4-[4-(4-methylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-(4-methylphenyl)phenyl]benzene
PubChem CID23391118
Molecular FormulaC19H15Cl
Molecular Weight278.78 g/mol
Exact Mass278.09
IUPAC Name1-chloro-4-[4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C19H15Cl/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(20)13-11-18/h2-13H,1H3
InChIKeyJSHCAIOOBGHFKD-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.78
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-(4-methylphenyl)phenyl]benzene?
The IUPAC name of 1-chloro-4-[4-(4-methylphenyl)phenyl]benzene (CID 23391118) is 1-chloro-4-[4-(4-methylphenyl)phenyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-(4-methylphenyl)phenyl]benzene?
The canonical SMILES for 1-chloro-4-[4-(4-methylphenyl)phenyl]benzene is Cc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 1-chloro-4-[4-(4-methylphenyl)phenyl]benzene?
The InChIKey is JSHCAIOOBGHFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(20)13-11-18/h2-13H,1H3.
What are the key properties of 1-chloro-4-[4-(4-methylphenyl)phenyl]benzene?
1-chloro-4-[4-(4-methylphenyl)phenyl]benzene has a molecular weight of 278.78 g/mol, XLogP of 5.98, 2 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-methylphenyl)phenyl]benzene is sourced from PubChem (CID 23391118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).