1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene

C11H11Cl — CID 58174508

IUPAC1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene
SMILESC=C/C(=C/C)c1ccc(Cl)cc1
InChIInChI=1S/C11H11Cl/c1-3-9(4-2)10-5-7-11(12)8-6-10/h3-8H,1H2,2H3/b9-4-
InChIKeyXVZBDJJLKNNVSP-WTKPLQERSA-N
MW178.66 g/mol
LogP3.93
Rot. Bonds2

About 1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene

1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene (PubChem CID 58174508) has the molecular formula C11H11Cl and a molecular weight of 178.66 g/mol. Its IUPAC name is 1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene
PubChem CID58174508
Molecular FormulaC11H11Cl
Molecular Weight178.66 g/mol
Exact Mass178.05
IUPAC Name1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene
SMILESC=C/C(=C/C)c1ccc(Cl)cc1
InChIInChI=1S/C11H11Cl/c1-3-9(4-2)10-5-7-11(12)8-6-10/h3-8H,1H2,2H3/b9-4-
InChIKeyXVZBDJJLKNNVSP-WTKPLQERSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[(3E)-penta-1,3-dien-3-yl]benzenesulfinate
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1-(3-methylpentan-3-yl)-4-[(3E)-penta-1,3-dien-3-yl]benzene
CID 143318084
4-chlorophenol;prop-1-ene
CID 158486029
1-chloro-4-[(Z)-1-iodoprop-1-enyl]benzene
CID 154712209
1-chloro-4-(1-fluoroprop-1-enyl)benzene
CID 66592587
4-chloro-N'-prop-2-enoylbenzohydrazide
CID 101094215
N-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine
CID 143835017
1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene
CID 125476058
ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline
CID 145067455
[amino-(4-chlorophenyl)methylidene]azanium chloride
CID 10888750
2-(4-buta-1,3-dien-2-ylphenyl)-4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-1,3,5-triazine
CID 139475343
1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene
CID 145141155

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene?
The IUPAC name of 1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene (CID 58174508) is 1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene.
What is the SMILES notation for 1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene?
The canonical SMILES for 1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene is C=C/C(=C/C)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene?
The InChIKey is XVZBDJJLKNNVSP-WTKPLQERSA-N. The full InChI is InChI=1S/C11H11Cl/c1-3-9(4-2)10-5-7-11(12)8-6-10/h3-8H,1H2,2H3/b9-4-.
What are the key properties of 1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene?
1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene has a molecular weight of 178.66 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene is sourced from PubChem (CID 58174508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).