4-chloropent-3-enylbenzene

C11H13Cl — CID 71383765

IUPAC4-chloropent-3-enylbenzene
SMILESCC(Cl)=CCCc1ccccc1
InChIInChI=1S/C11H13Cl/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,6-8H,5,9H2,1H3
InChIKeyRWJAXAYUZIKJIN-UHFFFAOYSA-N
MW180.68 g/mol
LogP3.76
Rot. Bonds3

About 4-chloropent-3-enylbenzene

4-chloropent-3-enylbenzene (PubChem CID 71383765) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 4-chloropent-3-enylbenzene.

Molecular Properties

Compound Name4-chloropent-3-enylbenzene
PubChem CID71383765
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name4-chloropent-3-enylbenzene
SMILESCC(Cl)=CCCc1ccccc1
InChIInChI=1S/C11H13Cl/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,6-8H,5,9H2,1H3
InChIKeyRWJAXAYUZIKJIN-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(E)-1-chloro-4-phenylbut-1-enyl]benzene
CID 22020271
(5,5,5-trifluoro-4-methylpent-3-enyl)benzene
CID 131871830
(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
[(E)-4,5-dimethylhex-3-enyl]benzene
CID 14959713
(4-bromo-4-fluorobut-3-enyl)benzene
CID 71421113
4-methyl-7-phenylhept-4-en-1-ol
CID 71353866
pent-3-enylbenzene
CID 519421
5-fluorohexa-3,4-dienylbenzene
CID 162374144
[(E)-4-cyclohexylpent-3-enyl]benzene
CID 14982517
[(3Z)-3-fluoro-6-phenylhexa-1,3-dien-2-yl]-trimethylsilane
CID 102212098
[(Z)-1-fluoro-4-phenylbut-1-enyl]-triphenylgermane
CID 23237171
(Z)-4-chloro-1-phenyltridec-3-en-5-ol
CID 11185938

Frequently Asked Questions

What is the IUPAC name of 4-chloropent-3-enylbenzene?
The IUPAC name of 4-chloropent-3-enylbenzene (CID 71383765) is 4-chloropent-3-enylbenzene.
What is the SMILES notation for 4-chloropent-3-enylbenzene?
The canonical SMILES for 4-chloropent-3-enylbenzene is CC(Cl)=CCCc1ccccc1.
What is the InChIKey of 4-chloropent-3-enylbenzene?
The InChIKey is RWJAXAYUZIKJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,6-8H,5,9H2,1H3.
What are the key properties of 4-chloropent-3-enylbenzene?
4-chloropent-3-enylbenzene has a molecular weight of 180.68 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropent-3-enylbenzene is sourced from PubChem (CID 71383765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).