1-benzyl-3-chlorobenzene

C13H11Cl — CID 520346

IUPAC1-benzyl-3-chlorobenzene
SMILESClc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C13H11Cl/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyJEOITUQBDPRYRG-UHFFFAOYSA-N
MW202.68 g/mol
LogP3.93
Rot. Bonds2

About 1-benzyl-3-chlorobenzene

1-benzyl-3-chlorobenzene (PubChem CID 520346) has the molecular formula C13H11Cl and a molecular weight of 202.68 g/mol. Its IUPAC name is 1-benzyl-3-chlorobenzene.

Molecular Properties

Compound Name1-benzyl-3-chlorobenzene
PubChem CID520346
Molecular FormulaC13H11Cl
Molecular Weight202.68 g/mol
Exact Mass202.05
IUPAC Name1-benzyl-3-chlorobenzene
SMILESClc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C13H11Cl/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyJEOITUQBDPRYRG-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-chlorobenzene?
The IUPAC name of 1-benzyl-3-chlorobenzene (CID 520346) is 1-benzyl-3-chlorobenzene.
What is the SMILES notation for 1-benzyl-3-chlorobenzene?
The canonical SMILES for 1-benzyl-3-chlorobenzene is Clc1cccc(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-3-chlorobenzene?
The InChIKey is JEOITUQBDPRYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2.
What are the key properties of 1-benzyl-3-chlorobenzene?
1-benzyl-3-chlorobenzene has a molecular weight of 202.68 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-chlorobenzene is sourced from PubChem (CID 520346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).