1,2-dichloro-4-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene

C11H9Cl3 — CID 89400242

IUPAC1,2-dichloro-4-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene
SMILESC=C(Cl)/C=C(\C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl3/c1-7(5-8(2)12)9-3-4-10(13)11(14)6-9/h3-6H,2H2,1H3/b7-5+
InChIKeyNOODXIOXIPCKEG-FNORWQNLSA-N
MW247.55 g/mol
LogP5.15
Rot. Bonds2

About 1,2-dichloro-4-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene

1,2-dichloro-4-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene (PubChem CID 89400242) has the molecular formula C11H9Cl3 and a molecular weight of 247.55 g/mol. Its IUPAC name is 1,2-dichloro-4-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene
PubChem CID89400242
Molecular FormulaC11H9Cl3
Molecular Weight247.55 g/mol
Exact Mass245.98
IUPAC Name1,2-dichloro-4-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene
SMILESC=C(Cl)/C=C(\C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl3/c1-7(5-8(2)12)9-3-4-10(13)11(14)6-9/h3-6H,2H2,1H3/b7-5+
InChIKeyNOODXIOXIPCKEG-FNORWQNLSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.55
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene?
The IUPAC name of 1,2-dichloro-4-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene (CID 89400242) is 1,2-dichloro-4-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene?
The canonical SMILES for 1,2-dichloro-4-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene is C=C(Cl)/C=C(\C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene?
The InChIKey is NOODXIOXIPCKEG-FNORWQNLSA-N. The full InChI is InChI=1S/C11H9Cl3/c1-7(5-8(2)12)9-3-4-10(13)11(14)6-9/h3-6H,2H2,1H3/b7-5+.
What are the key properties of 1,2-dichloro-4-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene?
1,2-dichloro-4-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene has a molecular weight of 247.55 g/mol, XLogP of 5.15, 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-[(2E)-4-chloropenta-2,4-dien-2-yl]benzene is sourced from PubChem (CID 89400242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).