1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene

C16H15Cl — CID 125465400

IUPAC1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene
SMILESClC/C=C/c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C16H15Cl/c17-12-4-7-14-8-10-16(11-9-14)13-15-5-2-1-3-6-15/h1-11H,12-13H2/b7-4+
InChIKeyJJYQIPKPMNMZAY-QPJJXVBHSA-N
MW242.75 g/mol
LogP4.53
Rot. Bonds4

About 1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene

1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene (PubChem CID 125465400) has the molecular formula C16H15Cl and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene.

Molecular Properties

Compound Name1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene
PubChem CID125465400
Molecular FormulaC16H15Cl
Molecular Weight242.75 g/mol
Exact Mass242.09
IUPAC Name1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene
SMILESClC/C=C/c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C16H15Cl/c17-12-4-7-14-8-10-16(11-9-14)13-15-5-2-1-3-6-15/h1-11H,12-13H2/b7-4+
InChIKeyJJYQIPKPMNMZAY-QPJJXVBHSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene?
The IUPAC name of 1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene (CID 125465400) is 1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene.
What is the SMILES notation for 1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene?
The canonical SMILES for 1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene is ClC/C=C/c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene?
The InChIKey is JJYQIPKPMNMZAY-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H15Cl/c17-12-4-7-14-8-10-16(11-9-14)13-15-5-2-1-3-6-15/h1-11H,12-13H2/b7-4+.
What are the key properties of 1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene?
1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene has a molecular weight of 242.75 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene is sourced from PubChem (CID 125465400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).