1-(chloromethyl)-3-ethenyl-2-methylbenzene

C10H11Cl — CID 19022880

IUPAC1-(chloromethyl)-3-ethenyl-2-methylbenzene
SMILESC=Cc1cccc(CCl)c1C
InChIInChI=1S/C10H11Cl/c1-3-9-5-4-6-10(7-11)8(9)2/h3-6H,1,7H2,2H3
InChIKeyLENQOHTVOGIPJK-UHFFFAOYSA-N
MW166.65 g/mol
LogP3.38
Rot. Bonds2

About 1-(chloromethyl)-3-ethenyl-2-methylbenzene

1-(chloromethyl)-3-ethenyl-2-methylbenzene (PubChem CID 19022880) has the molecular formula C10H11Cl and a molecular weight of 166.65 g/mol. Its IUPAC name is 1-(chloromethyl)-3-ethenyl-2-methylbenzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-ethenyl-2-methylbenzene
PubChem CID19022880
Molecular FormulaC10H11Cl
Molecular Weight166.65 g/mol
Exact Mass166.05
IUPAC Name1-(chloromethyl)-3-ethenyl-2-methylbenzene
SMILESC=Cc1cccc(CCl)c1C
InChIInChI=1S/C10H11Cl/c1-3-9-5-4-6-10(7-11)8(9)2/h3-6H,1,7H2,2H3
InChIKeyLENQOHTVOGIPJK-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-ethenyl-2-methylbenzene?
The IUPAC name of 1-(chloromethyl)-3-ethenyl-2-methylbenzene (CID 19022880) is 1-(chloromethyl)-3-ethenyl-2-methylbenzene.
What is the SMILES notation for 1-(chloromethyl)-3-ethenyl-2-methylbenzene?
The canonical SMILES for 1-(chloromethyl)-3-ethenyl-2-methylbenzene is C=Cc1cccc(CCl)c1C.
What is the InChIKey of 1-(chloromethyl)-3-ethenyl-2-methylbenzene?
The InChIKey is LENQOHTVOGIPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl/c1-3-9-5-4-6-10(7-11)8(9)2/h3-6H,1,7H2,2H3.
What are the key properties of 1-(chloromethyl)-3-ethenyl-2-methylbenzene?
1-(chloromethyl)-3-ethenyl-2-methylbenzene has a molecular weight of 166.65 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-ethenyl-2-methylbenzene is sourced from PubChem (CID 19022880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).