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

C14H12Cl2 — CID 23383540

IUPAC1-chloro-2-[1-(2-chlorophenyl)ethyl]benzene
SMILESCC(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H12Cl2/c1-10(11-6-2-4-8-13(11)15)12-7-3-5-9-14(12)16/h2-10H,1H3
InChIKeyHWOCJCGWXIVWGF-UHFFFAOYSA-N
MW251.16 g/mol
LogP5.15
Rot. Bonds2

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

1-chloro-2-[1-(2-chlorophenyl)ethyl]benzene (PubChem CID 23383540) has the molecular formula C14H12Cl2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 1-chloro-2-[1-(2-chlorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[1-(2-chlorophenyl)ethyl]benzene
PubChem CID23383540
Molecular FormulaC14H12Cl2
Molecular Weight251.16 g/mol
Exact Mass250.03
IUPAC Name1-chloro-2-[1-(2-chlorophenyl)ethyl]benzene
SMILESCC(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H12Cl2/c1-10(11-6-2-4-8-13(11)15)12-7-3-5-9-14(12)16/h2-10H,1H3
InChIKeyHWOCJCGWXIVWGF-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.16
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-(2-chlorophenyl)ethyl]benzene?
The IUPAC name of 1-chloro-2-[1-(2-chlorophenyl)ethyl]benzene (CID 23383540) is 1-chloro-2-[1-(2-chlorophenyl)ethyl]benzene.
What is the SMILES notation for 1-chloro-2-[1-(2-chlorophenyl)ethyl]benzene?
The canonical SMILES for 1-chloro-2-[1-(2-chlorophenyl)ethyl]benzene is CC(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[1-(2-chlorophenyl)ethyl]benzene?
The InChIKey is HWOCJCGWXIVWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2/c1-10(11-6-2-4-8-13(11)15)12-7-3-5-9-14(12)16/h2-10H,1H3.
What are the key properties of 1-chloro-2-[1-(2-chlorophenyl)ethyl]benzene?
1-chloro-2-[1-(2-chlorophenyl)ethyl]benzene has a molecular weight of 251.16 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[1-(2-chlorophenyl)ethyl]benzene is sourced from PubChem (CID 23383540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).