5-chloropent-3-en-2-ylbenzene

C11H13Cl — CID 71345200

IUPAC5-chloropent-3-en-2-ylbenzene
SMILESCC(C=CCCl)c1ccccc1
InChIInChI=1S/C11H13Cl/c1-10(6-5-9-12)11-7-3-2-4-8-11/h2-8,10H,9H2,1H3
InChIKeyHFZXKDHVFPQJIO-UHFFFAOYSA-N
MW180.68 g/mol
LogP3.59
Rot. Bonds3

About 5-chloropent-3-en-2-ylbenzene

5-chloropent-3-en-2-ylbenzene (PubChem CID 71345200) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 5-chloropent-3-en-2-ylbenzene.

Molecular Properties

Compound Name5-chloropent-3-en-2-ylbenzene
PubChem CID71345200
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name5-chloropent-3-en-2-ylbenzene
SMILESCC(C=CCCl)c1ccccc1
InChIInChI=1S/C11H13Cl/c1-10(6-5-9-12)11-7-3-2-4-8-11/h2-8,10H,9H2,1H3
InChIKeyHFZXKDHVFPQJIO-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
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

(E,5S)-5-phenylhex-3-en-1-ol
CID 162402402
(Z)-4-phenylpent-2-en-1-ol
CID 10725679
(4-chloro-1-phenylbut-2-enyl)benzene
CID 57017373
4-phenylpent-2-enylbenzene
CID 72731182
trimethyl-[(E)-4-phenylpent-2-enyl]silane
CID 10889393
[(3E,7Z)-deca-3,7-dien-2-yl]benzene
CID 123551652
[(Z)-pent-3-en-2-yl]benzene
CID 12697650
dodec-3-en-2-ylbenzene
CID 140717956
octadec-3-en-2-ylbenzene
CID 140717946
(E)-3-phenylbut-1-en-1-amine
CID 22024726
dimethyl 2-[(E)-4-phenylpent-2-enyl]propanedioate
CID 122378801
(E)-4-chloro-N-(2-phenylpropyl)but-2-en-1-amine
CID 104591435

Frequently Asked Questions

What is the IUPAC name of 5-chloropent-3-en-2-ylbenzene?
The IUPAC name of 5-chloropent-3-en-2-ylbenzene (CID 71345200) is 5-chloropent-3-en-2-ylbenzene.
What is the SMILES notation for 5-chloropent-3-en-2-ylbenzene?
The canonical SMILES for 5-chloropent-3-en-2-ylbenzene is CC(C=CCCl)c1ccccc1.
What is the InChIKey of 5-chloropent-3-en-2-ylbenzene?
The InChIKey is HFZXKDHVFPQJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c1-10(6-5-9-12)11-7-3-2-4-8-11/h2-8,10H,9H2,1H3.
What are the key properties of 5-chloropent-3-en-2-ylbenzene?
5-chloropent-3-en-2-ylbenzene has a molecular weight of 180.68 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropent-3-en-2-ylbenzene is sourced from PubChem (CID 71345200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).