1-chloro-3-[2-(3-chlorophenyl)ethynyl]benzene

C14H8Cl2 — CID 10610475

IUPAC1-chloro-3-[2-(3-chlorophenyl)ethynyl]benzene
SMILESClc1cccc(C#Cc2cccc(Cl)c2)c1
InChIInChI=1S/C14H8Cl2/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-6,9-10H
InChIKeyGJFPCVJNPSZBQC-UHFFFAOYSA-N
MW247.12 g/mol
LogP4.39
Rot. Bonds

About 1-chloro-3-[2-(3-chlorophenyl)ethynyl]benzene

1-chloro-3-[2-(3-chlorophenyl)ethynyl]benzene (PubChem CID 10610475) has the molecular formula C14H8Cl2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 1-chloro-3-[2-(3-chlorophenyl)ethynyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[2-(3-chlorophenyl)ethynyl]benzene
PubChem CID10610475
Molecular FormulaC14H8Cl2
Molecular Weight247.12 g/mol
Exact Mass246.00
IUPAC Name1-chloro-3-[2-(3-chlorophenyl)ethynyl]benzene
SMILESClc1cccc(C#Cc2cccc(Cl)c2)c1
InChIInChI=1S/C14H8Cl2/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-6,9-10H
InChIKeyGJFPCVJNPSZBQC-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(3-chlorophenyl)ethynyl]benzene?
The IUPAC name of 1-chloro-3-[2-(3-chlorophenyl)ethynyl]benzene (CID 10610475) is 1-chloro-3-[2-(3-chlorophenyl)ethynyl]benzene.
What is the SMILES notation for 1-chloro-3-[2-(3-chlorophenyl)ethynyl]benzene?
The canonical SMILES for 1-chloro-3-[2-(3-chlorophenyl)ethynyl]benzene is Clc1cccc(C#Cc2cccc(Cl)c2)c1.
What is the InChIKey of 1-chloro-3-[2-(3-chlorophenyl)ethynyl]benzene?
The InChIKey is GJFPCVJNPSZBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-6,9-10H.
What are the key properties of 1-chloro-3-[2-(3-chlorophenyl)ethynyl]benzene?
1-chloro-3-[2-(3-chlorophenyl)ethynyl]benzene has a molecular weight of 247.12 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(3-chlorophenyl)ethynyl]benzene is sourced from PubChem (CID 10610475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).