5-chloropent-2-enylbenzene

C11H13Cl — CID 79603176

IUPAC5-chloropent-2-enylbenzene
SMILESClCCC=CCc1ccccc1
InChIInChI=1S/C11H13Cl/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-5,7-8H,6,9-10H2
InChIKeyOAHBXWLNVWBUPC-UHFFFAOYSA-N
MW180.68 g/mol
LogP3.41
Rot. Bonds4

About 5-chloropent-2-enylbenzene

5-chloropent-2-enylbenzene (PubChem CID 79603176) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 5-chloropent-2-enylbenzene.

Molecular Properties

Compound Name5-chloropent-2-enylbenzene
PubChem CID79603176
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name5-chloropent-2-enylbenzene
SMILESClCCC=CCc1ccccc1
InChIInChI=1S/C11H13Cl/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-5,7-8H,6,9-10H2
InChIKeyOAHBXWLNVWBUPC-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(5-chloropent-2-enyl)benzene
CID 79603692
6-phenylhexa-2,4-dienylbenzene;titanium
CID 161467723
(E)-6-phenylhex-4-enenitrile
CID 14381063
[(E)-oct-2-enyl]benzene
CID 13383320
4-phenylbut-2-ene-1-thiol
CID 54126363
carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+)
CID 173208197
[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
4-(4-phenylbut-2-enyl)phenol
CID 66608492
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
[(E)-oct-2-en-7-ynyl]benzene
CID 101423636
(E)-N,4-diphenylbut-2-en-1-imine
CID 58165742
[(E)-5-chloropent-3-enyl]benzene
CID 101263863

Frequently Asked Questions

What is the IUPAC name of 5-chloropent-2-enylbenzene?
The IUPAC name of 5-chloropent-2-enylbenzene (CID 79603176) is 5-chloropent-2-enylbenzene.
What is the SMILES notation for 5-chloropent-2-enylbenzene?
The canonical SMILES for 5-chloropent-2-enylbenzene is ClCCC=CCc1ccccc1.
What is the InChIKey of 5-chloropent-2-enylbenzene?
The InChIKey is OAHBXWLNVWBUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-5,7-8H,6,9-10H2.
What are the key properties of 5-chloropent-2-enylbenzene?
5-chloropent-2-enylbenzene has a molecular weight of 180.68 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropent-2-enylbenzene is sourced from PubChem (CID 79603176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).