4-chloropent-1-enylbenzene

C11H13Cl — CID 66808272

IUPAC4-chloropent-1-enylbenzene
SMILESCC(Cl)CC=Cc1ccccc1
InChIInChI=1S/C11H13Cl/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-5,7-10H,6H2,1H3
InChIKeyUTRUYENWHZEEQM-UHFFFAOYSA-N
MW180.68 g/mol
LogP3.72
Rot. Bonds3

About 4-chloropent-1-enylbenzene

4-chloropent-1-enylbenzene (PubChem CID 66808272) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 4-chloropent-1-enylbenzene.

Molecular Properties

Compound Name4-chloropent-1-enylbenzene
PubChem CID66808272
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name4-chloropent-1-enylbenzene
SMILESCC(Cl)CC=Cc1ccccc1
InChIInChI=1S/C11H13Cl/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-5,7-10H,6H2,1H3
InChIKeyUTRUYENWHZEEQM-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-phenylpent-4-en-2-amine
CID 55254237
[(E)-1-chloro-4-phenylbut-3-enyl]benzene
CID 13252853
[(E,2R)-5-phenylpent-4-en-2-yl]benzene
CID 102293607
chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium
CID 173397693
4,5-dimethylhepta-1,5-dienylbenzene
CID 123392853
(E,3R)-2-methyl-6-phenyl-N-propan-2-ylhex-5-en-3-amine
CID 59058683
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
benzene;but-1-enylbenzene
CID 157481332
dimethyl-phenyl-[(Z)-5-phenylpent-4-en-2-yl]oxysilane
CID 158977605
trihydroxy(3-phenylprop-2-enyl)phosphanium
CID 70142410
dichloropalladium;3-phenylprop-2-enyl-di(propan-2-yl)phosphane
CID 174766981
N-methyl-1,4-diphenylbut-3-en-1-amine
CID 54080999

Frequently Asked Questions

What is the IUPAC name of 4-chloropent-1-enylbenzene?
The IUPAC name of 4-chloropent-1-enylbenzene (CID 66808272) is 4-chloropent-1-enylbenzene.
What is the SMILES notation for 4-chloropent-1-enylbenzene?
The canonical SMILES for 4-chloropent-1-enylbenzene is CC(Cl)CC=Cc1ccccc1.
What is the InChIKey of 4-chloropent-1-enylbenzene?
The InChIKey is UTRUYENWHZEEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-5,7-10H,6H2,1H3.
What are the key properties of 4-chloropent-1-enylbenzene?
4-chloropent-1-enylbenzene has a molecular weight of 180.68 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropent-1-enylbenzene is sourced from PubChem (CID 66808272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).