1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene

C14H12Cl2 — CID 21278

IUPAC1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene
SMILESClc1ccc(CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12Cl2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2H2
InChIKeyHTHGRQSFMYIQHB-UHFFFAOYSA-N
MW251.16 g/mol
LogP4.78
Rot. Bonds3

About 1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene

1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene (PubChem CID 21278) has the molecular formula C14H12Cl2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene
PubChem CID21278
Molecular FormulaC14H12Cl2
Molecular Weight251.16 g/mol
Exact Mass250.03
IUPAC Name1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene
SMILESClc1ccc(CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H12Cl2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2H2
InChIKeyHTHGRQSFMYIQHB-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene?
The IUPAC name of 1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene (CID 21278) is 1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene.
What is the SMILES notation for 1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene?
The canonical SMILES for 1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene is Clc1ccc(CCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene?
The InChIKey is HTHGRQSFMYIQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2H2.
What are the key properties of 1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene?
1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene has a molecular weight of 251.16 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene is sourced from PubChem (CID 21278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).