1-(5-chloropent-2-en-2-yl)-3-methylbenzene

C12H15Cl — CID 79002012

IUPAC1-(5-chloropent-2-en-2-yl)-3-methylbenzene
SMILESCC(=CCCCl)c1cccc(C)c1
InChIInChI=1S/C12H15Cl/c1-10-5-3-7-12(9-10)11(2)6-4-8-13/h3,5-7,9H,4,8H2,1-2H3
InChIKeySKXIXHQXEWZLFQ-UHFFFAOYSA-N
MW194.70 g/mol
LogP4.03
Rot. Bonds3

About 1-(5-chloropent-2-en-2-yl)-3-methylbenzene

1-(5-chloropent-2-en-2-yl)-3-methylbenzene (PubChem CID 79002012) has the molecular formula C12H15Cl and a molecular weight of 194.70 g/mol. Its IUPAC name is 1-(5-chloropent-2-en-2-yl)-3-methylbenzene.

Molecular Properties

Compound Name1-(5-chloropent-2-en-2-yl)-3-methylbenzene
PubChem CID79002012
Molecular FormulaC12H15Cl
Molecular Weight194.70 g/mol
Exact Mass194.09
IUPAC Name1-(5-chloropent-2-en-2-yl)-3-methylbenzene
SMILESCC(=CCCCl)c1cccc(C)c1
InChIInChI=1S/C12H15Cl/c1-10-5-3-7-12(9-10)11(2)6-4-8-13/h3,5-7,9H,4,8H2,1-2H3
InChIKeySKXIXHQXEWZLFQ-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.70
LogP ≤ 54.03
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

4-(3-methylphenyl)pent-3-en-1-amine
CID 76996989
1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene
CID 79019956
N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine
CID 79607366
1-(5-chloropent-2-en-2-yl)-3-(trifluoromethoxy)benzene
CID 79593116
1-[(E)-5-chloropent-2-en-2-yl]-3-(2-methylpropyl)benzene
CID 116546317
1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene
CID 174069312
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methylbenzene
CID 144614212
ethane;(2E)-2-ethenyl-6-(3-methylphenyl)hepta-2,5-dienenitrile
CID 143255664
benzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene
CID 144954093
3-(5-chloropent-2-en-2-yl)-5-fluoropyridine
CID 79603957
1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene
CID 107514672
1-[(Z)-4-bromo-1-fluorobut-2-en-2-yl]-3-methylbenzene
CID 135071585

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropent-2-en-2-yl)-3-methylbenzene?
The IUPAC name of 1-(5-chloropent-2-en-2-yl)-3-methylbenzene (CID 79002012) is 1-(5-chloropent-2-en-2-yl)-3-methylbenzene.
What is the SMILES notation for 1-(5-chloropent-2-en-2-yl)-3-methylbenzene?
The canonical SMILES for 1-(5-chloropent-2-en-2-yl)-3-methylbenzene is CC(=CCCCl)c1cccc(C)c1.
What is the InChIKey of 1-(5-chloropent-2-en-2-yl)-3-methylbenzene?
The InChIKey is SKXIXHQXEWZLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl/c1-10-5-3-7-12(9-10)11(2)6-4-8-13/h3,5-7,9H,4,8H2,1-2H3.
What are the key properties of 1-(5-chloropent-2-en-2-yl)-3-methylbenzene?
1-(5-chloropent-2-en-2-yl)-3-methylbenzene has a molecular weight of 194.70 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropent-2-en-2-yl)-3-methylbenzene is sourced from PubChem (CID 79002012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).