2-chloro-1,4-diphenylbenzene

C18H13Cl — CID 22381578

IUPAC2-chloro-1,4-diphenylbenzene
SMILESClc1cc(-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C18H13Cl/c19-18-13-16(14-7-3-1-4-8-14)11-12-17(18)15-9-5-2-6-10-15/h1-13H
InChIKeyNKHQYWROIURKKP-UHFFFAOYSA-N
MW264.75 g/mol
LogP5.67
Rot. Bonds2

About 2-chloro-1,4-diphenylbenzene

2-chloro-1,4-diphenylbenzene (PubChem CID 22381578) has the molecular formula C18H13Cl and a molecular weight of 264.75 g/mol. Its IUPAC name is 2-chloro-1,4-diphenylbenzene.

Molecular Properties

Compound Name2-chloro-1,4-diphenylbenzene
PubChem CID22381578
Molecular FormulaC18H13Cl
Molecular Weight264.75 g/mol
Exact Mass264.07
IUPAC Name2-chloro-1,4-diphenylbenzene
SMILESClc1cc(-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C18H13Cl/c19-18-13-16(14-7-3-1-4-8-14)11-12-17(18)15-9-5-2-6-10-15/h1-13H
InChIKeyNKHQYWROIURKKP-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.75
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,4-diphenylbenzene?
The IUPAC name of 2-chloro-1,4-diphenylbenzene (CID 22381578) is 2-chloro-1,4-diphenylbenzene.
What is the SMILES notation for 2-chloro-1,4-diphenylbenzene?
The canonical SMILES for 2-chloro-1,4-diphenylbenzene is Clc1cc(-c2ccccc2)ccc1-c1ccccc1.
What is the InChIKey of 2-chloro-1,4-diphenylbenzene?
The InChIKey is NKHQYWROIURKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl/c19-18-13-16(14-7-3-1-4-8-14)11-12-17(18)15-9-5-2-6-10-15/h1-13H.
What are the key properties of 2-chloro-1,4-diphenylbenzene?
2-chloro-1,4-diphenylbenzene has a molecular weight of 264.75 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,4-diphenylbenzene is sourced from PubChem (CID 22381578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).