1,2-dichloro-4-[(E)-2-(4-isocyanophenyl)ethenyl]benzene

C15H9Cl2N — CID 162644511

IUPAC1,2-dichloro-4-[(E)-2-(4-isocyanophenyl)ethenyl]benzene
SMILES[C-]#[N+]c1ccc(/C=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H9Cl2N/c1-18-13-7-4-11(5-8-13)2-3-12-6-9-14(16)15(17)10-12/h2-10H/b3-2+
InChIKeyVAVUPPLLVBTFSE-NSCUHMNNSA-N
MW274.15 g/mol
LogP5.71
Rot. Bonds2

About 1,2-dichloro-4-[(E)-2-(4-isocyanophenyl)ethenyl]benzene

1,2-dichloro-4-[(E)-2-(4-isocyanophenyl)ethenyl]benzene (PubChem CID 162644511) has the molecular formula C15H9Cl2N and a molecular weight of 274.15 g/mol. Its IUPAC name is 1,2-dichloro-4-[(E)-2-(4-isocyanophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(E)-2-(4-isocyanophenyl)ethenyl]benzene
PubChem CID162644511
Molecular FormulaC15H9Cl2N
Molecular Weight274.15 g/mol
Exact Mass273.01
IUPAC Name1,2-dichloro-4-[(E)-2-(4-isocyanophenyl)ethenyl]benzene
SMILES[C-]#[N+]c1ccc(/C=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H9Cl2N/c1-18-13-7-4-11(5-8-13)2-3-12-6-9-14(16)15(17)10-12/h2-10H/b3-2+
InChIKeyVAVUPPLLVBTFSE-NSCUHMNNSA-N
XLogP5.71
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.15
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 8675
CID 8675
CID 11572419
CID 11572419
CID 2757427
CID 2757427
CID 6439866
CID 6439866
CID 5122786
CID 5122786
CID 3371273
CID 3371273
CID 282855
CID 282855
CID 4521250
CID 4521250
CID 3653632
CID 3653632
CID 103694371
CID 103694371
CID 6444382
CID 6444382
CID 73333880
CID 73333880

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[(E)-2-(4-isocyanophenyl)ethenyl]benzene?
The IUPAC name of 1,2-dichloro-4-[(E)-2-(4-isocyanophenyl)ethenyl]benzene (CID 162644511) is 1,2-dichloro-4-[(E)-2-(4-isocyanophenyl)ethenyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[(E)-2-(4-isocyanophenyl)ethenyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[(E)-2-(4-isocyanophenyl)ethenyl]benzene is [C-]#[N+]c1ccc(/C=C/c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1,2-dichloro-4-[(E)-2-(4-isocyanophenyl)ethenyl]benzene?
The InChIKey is VAVUPPLLVBTFSE-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H9Cl2N/c1-18-13-7-4-11(5-8-13)2-3-12-6-9-14(16)15(17)10-12/h2-10H/b3-2+.
What are the key properties of 1,2-dichloro-4-[(E)-2-(4-isocyanophenyl)ethenyl]benzene?
1,2-dichloro-4-[(E)-2-(4-isocyanophenyl)ethenyl]benzene has a molecular weight of 274.15 g/mol, XLogP of 5.71, 2 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)-2-(4-isocyanophenyl)ethenyl]benzene is sourced from PubChem (CID 162644511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).