1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene

C15H12Cl2 — CID 70518240

IUPAC1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene
SMILESClc1ccc(C/C=C/c2ccccc2)cc1Cl
InChIInChI=1S/C15H12Cl2/c16-14-10-9-13(11-15(14)17)8-4-7-12-5-2-1-3-6-12/h1-7,9-11H,8H2/b7-4+
InChIKeyQQZPIZGNOWVLJL-QPJJXVBHSA-N
MW263.17 g/mol
LogP5.25
Rot. Bonds3

About 1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene

1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene (PubChem CID 70518240) has the molecular formula C15H12Cl2 and a molecular weight of 263.17 g/mol. Its IUPAC name is 1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene
PubChem CID70518240
Molecular FormulaC15H12Cl2
Molecular Weight263.17 g/mol
Exact Mass262.03
IUPAC Name1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene
SMILESClc1ccc(C/C=C/c2ccccc2)cc1Cl
InChIInChI=1S/C15H12Cl2/c16-14-10-9-13(11-15(14)17)8-4-7-12-5-2-1-3-6-12/h1-7,9-11H,8H2/b7-4+
InChIKeyQQZPIZGNOWVLJL-QPJJXVBHSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.17
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene?
The IUPAC name of 1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene (CID 70518240) is 1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene is Clc1ccc(C/C=C/c2ccccc2)cc1Cl.
What is the InChIKey of 1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene?
The InChIKey is QQZPIZGNOWVLJL-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H12Cl2/c16-14-10-9-13(11-15(14)17)8-4-7-12-5-2-1-3-6-12/h1-7,9-11H,8H2/b7-4+.
What are the key properties of 1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene?
1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene has a molecular weight of 263.17 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene is sourced from PubChem (CID 70518240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).