[(Z)-4-chlorobut-3-en-1-ynyl]benzene

C10H7Cl — CID 11126589

IUPAC[(Z)-4-chlorobut-3-en-1-ynyl]benzene
SMILESCl/C=C\C#Cc1ccccc1
InChIInChI=1S/C10H7Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,9H/b9-5-
InChIKeyJDSKJYPUGMIYIU-UITAMQMPSA-N
MW162.62 g/mol
LogP2.79
Rot. Bonds

About [(Z)-4-chlorobut-3-en-1-ynyl]benzene

[(Z)-4-chlorobut-3-en-1-ynyl]benzene (PubChem CID 11126589) has the molecular formula C10H7Cl and a molecular weight of 162.62 g/mol. Its IUPAC name is [(Z)-4-chlorobut-3-en-1-ynyl]benzene.

Molecular Properties

Compound Name[(Z)-4-chlorobut-3-en-1-ynyl]benzene
PubChem CID11126589
Molecular FormulaC10H7Cl
Molecular Weight162.62 g/mol
Exact Mass162.02
IUPAC Name[(Z)-4-chlorobut-3-en-1-ynyl]benzene
SMILESCl/C=C\C#Cc1ccccc1
InChIInChI=1S/C10H7Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,9H/b9-5-
InChIKeyJDSKJYPUGMIYIU-UITAMQMPSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-4-chlorobut-3-en-1-ynyl]-4-methylbenzene
CID 101092828
(E)-5-phenylpent-2-en-4-ynenitrile
CID 102085204
trimethyl-[(Z)-4-phenylbut-1-en-3-ynyl]silane
CID 101156945
1,4-bis(4-phenylbut-3-en-1-ynyl)benzene
CID 71446163
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
6-phenylhex-3-en-5-yn-1-ol
CID 131872035
trimethyl-[(Z)-5-phenylpent-2-en-4-ynyl]silane
CID 11356347
[(E)-6-bromohex-3-en-1-ynyl]benzene
CID 131234021
2-phenylethynylbenzene;hydrofluoride
CID 158259923
2-phenylethynylbenzene;dihydrochloride
CID 174927104
[(E)-5-methoxy-5-methylhex-3-en-1-ynyl]benzene
CID 102281990
(E)-N-methyl-5-phenylpent-2-en-4-ynamide
CID 166437906

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-chlorobut-3-en-1-ynyl]benzene?
The IUPAC name of [(Z)-4-chlorobut-3-en-1-ynyl]benzene (CID 11126589) is [(Z)-4-chlorobut-3-en-1-ynyl]benzene.
What is the SMILES notation for [(Z)-4-chlorobut-3-en-1-ynyl]benzene?
The canonical SMILES for [(Z)-4-chlorobut-3-en-1-ynyl]benzene is Cl/C=C\C#Cc1ccccc1.
What is the InChIKey of [(Z)-4-chlorobut-3-en-1-ynyl]benzene?
The InChIKey is JDSKJYPUGMIYIU-UITAMQMPSA-N. The full InChI is InChI=1S/C10H7Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,9H/b9-5-.
What are the key properties of [(Z)-4-chlorobut-3-en-1-ynyl]benzene?
[(Z)-4-chlorobut-3-en-1-ynyl]benzene has a molecular weight of 162.62 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-chlorobut-3-en-1-ynyl]benzene is sourced from PubChem (CID 11126589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).