1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene

C13H15Cl — CID 145377357

IUPAC1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene
SMILESC=C(/C=C\CC)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H15Cl/c1-3-4-5-11(2)10-12-6-8-13(14)9-7-12/h4-9H,2-3,10H2,1H3/b5-4-
InChIKeyNUNJJAADVBPZIU-PLNGDYQASA-N
MW206.72 g/mol
LogP4.40
Rot. Bonds4

About 1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene

1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene (PubChem CID 145377357) has the molecular formula C13H15Cl and a molecular weight of 206.72 g/mol. Its IUPAC name is 1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene
PubChem CID145377357
Molecular FormulaC13H15Cl
Molecular Weight206.72 g/mol
Exact Mass206.09
IUPAC Name1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene
SMILESC=C(/C=C\CC)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H15Cl/c1-3-4-5-11(2)10-12-6-8-13(14)9-7-12/h4-9H,2-3,10H2,1H3/b5-4-
InChIKeyNUNJJAADVBPZIU-PLNGDYQASA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 54.40
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

1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene
CID 144912903
1-chloro-4-[(E)-hex-3-enyl]benzene
CID 57078477
1-(4-chlorophenyl)-4-methylidenehexan-2-one
CID 66044563
1-(4-chlorophenyl)butan-2-one
CID 39237509
(E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one
CID 103454334
2-(4-chlorophenyl)acetyl iodide
CID 89264950
3-[(4-chlorophenyl)methyl]-N-methylbut-3-en-1-amine
CID 117268959
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
1-(4-chlorophenyl)-4-methylidenehexan-2-ol
CID 66044338
1-ethynyl-4-[(3E)-2-methylidene-5-[(4-methylphenyl)methyl]hexa-3,5-dienyl]benzene
CID 159671138
1-chloro-4-(3-methylidenehexyl)benzene
CID 166967432
2-(4-chlorophenyl)acetate
CID 5460378

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene?
The IUPAC name of 1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene (CID 145377357) is 1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene is C=C(/C=C\CC)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene?
The InChIKey is NUNJJAADVBPZIU-PLNGDYQASA-N. The full InChI is InChI=1S/C13H15Cl/c1-3-4-5-11(2)10-12-6-8-13(14)9-7-12/h4-9H,2-3,10H2,1H3/b5-4-.
What are the key properties of 1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene?
1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene has a molecular weight of 206.72 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(Z)-2-methylidenehex-3-enyl]benzene is sourced from PubChem (CID 145377357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).