1-(2-chloroprop-2-enyl)-4-pentylbenzene

C14H19Cl — CID 24721931

IUPAC1-(2-chloroprop-2-enyl)-4-pentylbenzene
SMILESC=C(Cl)Cc1ccc(CCCCC)cc1
InChIInChI=1S/C14H19Cl/c1-3-4-5-6-13-7-9-14(10-8-13)11-12(2)15/h7-10H,2-6,11H2,1H3
InChIKeyYCONYDOOMWBBEU-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.71
Rot. Bonds6

About 1-(2-chloroprop-2-enyl)-4-pentylbenzene

1-(2-chloroprop-2-enyl)-4-pentylbenzene (PubChem CID 24721931) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-4-pentylbenzene.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-4-pentylbenzene
PubChem CID24721931
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name1-(2-chloroprop-2-enyl)-4-pentylbenzene
SMILESC=C(Cl)Cc1ccc(CCCCC)cc1
InChIInChI=1S/C14H19Cl/c1-3-4-5-6-13-7-9-14(10-8-13)11-12(2)15/h7-10H,2-6,11H2,1H3
InChIKeyYCONYDOOMWBBEU-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide
CID 113238577
1-butyl-4-nonylbenzene
CID 59545302
CID 57470906
CID 57470906
sodium 2-(4-tridecylphenyl)acetate
CID 23717024
CID 59759292
CID 59759292
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
N-hydroxy-4-pentylbenzenecarboximidoyl chloride
CID 145299970
1-(3-fluoroprop-1-en-2-yl)-4-pentylbenzene
CID 134447420
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
bis(4-decylphenyl)diazene
CID 71359462
tris(4-octylphenol);propane
CID 90866185

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-4-pentylbenzene?
The IUPAC name of 1-(2-chloroprop-2-enyl)-4-pentylbenzene (CID 24721931) is 1-(2-chloroprop-2-enyl)-4-pentylbenzene.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-4-pentylbenzene?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-4-pentylbenzene is C=C(Cl)Cc1ccc(CCCCC)cc1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-4-pentylbenzene?
The InChIKey is YCONYDOOMWBBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c1-3-4-5-6-13-7-9-14(10-8-13)11-12(2)15/h7-10H,2-6,11H2,1H3.
What are the key properties of 1-(2-chloroprop-2-enyl)-4-pentylbenzene?
1-(2-chloroprop-2-enyl)-4-pentylbenzene has a molecular weight of 222.76 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-4-pentylbenzene is sourced from PubChem (CID 24721931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).