1-(chloromethyl)-4-ethenyl-2,3,5,6-tetramethylbenzene

C13H17Cl — CID 21412770

IUPAC1-(chloromethyl)-4-ethenyl-2,3,5,6-tetramethylbenzene
SMILESC=Cc1c(C)c(C)c(CCl)c(C)c1C
InChIInChI=1S/C13H17Cl/c1-6-12-8(2)10(4)13(7-14)11(5)9(12)3/h6H,1,7H2,2-5H3
InChIKeyZFQHTCWXXMPSPD-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.30
Rot. Bonds2

About 1-(chloromethyl)-4-ethenyl-2,3,5,6-tetramethylbenzene

1-(chloromethyl)-4-ethenyl-2,3,5,6-tetramethylbenzene (PubChem CID 21412770) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 1-(chloromethyl)-4-ethenyl-2,3,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-ethenyl-2,3,5,6-tetramethylbenzene
PubChem CID21412770
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name1-(chloromethyl)-4-ethenyl-2,3,5,6-tetramethylbenzene
SMILESC=Cc1c(C)c(C)c(CCl)c(C)c1C
InChIInChI=1S/C13H17Cl/c1-6-12-8(2)10(4)13(7-14)11(5)9(12)3/h6H,1,7H2,2-5H3
InChIKeyZFQHTCWXXMPSPD-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.30
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)-4-ethenyl-2,3,5,6-tetramethylbenzene?
The IUPAC name of 1-(chloromethyl)-4-ethenyl-2,3,5,6-tetramethylbenzene (CID 21412770) is 1-(chloromethyl)-4-ethenyl-2,3,5,6-tetramethylbenzene.
What is the SMILES notation for 1-(chloromethyl)-4-ethenyl-2,3,5,6-tetramethylbenzene?
The canonical SMILES for 1-(chloromethyl)-4-ethenyl-2,3,5,6-tetramethylbenzene is C=Cc1c(C)c(C)c(CCl)c(C)c1C.
What is the InChIKey of 1-(chloromethyl)-4-ethenyl-2,3,5,6-tetramethylbenzene?
The InChIKey is ZFQHTCWXXMPSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c1-6-12-8(2)10(4)13(7-14)11(5)9(12)3/h6H,1,7H2,2-5H3.
What are the key properties of 1-(chloromethyl)-4-ethenyl-2,3,5,6-tetramethylbenzene?
1-(chloromethyl)-4-ethenyl-2,3,5,6-tetramethylbenzene has a molecular weight of 208.73 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-ethenyl-2,3,5,6-tetramethylbenzene is sourced from PubChem (CID 21412770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).