1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene

C11H10Cl2 — CID 125476058

IUPAC1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene
SMILESC=CC/C=C(/Cl)c1ccc(Cl)cc1
InChIInChI=1S/C11H10Cl2/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h2,4-8H,1,3H2/b11-4+
InChIKeyLLTPRVNULAMILI-NYYWCZLTSA-N
MW213.11 g/mol
LogP4.50
Rot. Bonds3

About 1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene

1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene (PubChem CID 125476058) has the molecular formula C11H10Cl2 and a molecular weight of 213.11 g/mol. Its IUPAC name is 1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene
PubChem CID125476058
Molecular FormulaC11H10Cl2
Molecular Weight213.11 g/mol
Exact Mass212.02
IUPAC Name1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene
SMILESC=CC/C=C(/Cl)c1ccc(Cl)cc1
InChIInChI=1S/C11H10Cl2/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h2,4-8H,1,3H2/b11-4+
InChIKeyLLTPRVNULAMILI-NYYWCZLTSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene?
The IUPAC name of 1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene (CID 125476058) is 1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene.
What is the SMILES notation for 1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene?
The canonical SMILES for 1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene is C=CC/C=C(/Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene?
The InChIKey is LLTPRVNULAMILI-NYYWCZLTSA-N. The full InChI is InChI=1S/C11H10Cl2/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h2,4-8H,1,3H2/b11-4+.
What are the key properties of 1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene?
1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene has a molecular weight of 213.11 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene is sourced from PubChem (CID 125476058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).