1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene

C11H12Cl2 — CID 3282668

IUPAC1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene
SMILESCc1ccc(CC2CC2(Cl)Cl)cc1
InChIInChI=1S/C11H12Cl2/c1-8-2-4-9(5-3-8)6-10-7-11(10,12)13/h2-5,10H,6-7H2,1H3
InChIKeyRNKXUOFBBOGAEZ-UHFFFAOYSA-N
MW215.12 g/mol
LogP3.73
Rot. Bonds2

About 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene

1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene (PubChem CID 3282668) has the molecular formula C11H12Cl2 and a molecular weight of 215.12 g/mol. Its IUPAC name is 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene
PubChem CID3282668
Molecular FormulaC11H12Cl2
Molecular Weight215.12 g/mol
Exact Mass214.03
IUPAC Name1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene
SMILESCc1ccc(CC2CC2(Cl)Cl)cc1
InChIInChI=1S/C11H12Cl2/c1-8-2-4-9(5-3-8)6-10-7-11(10,12)13/h2-5,10H,6-7H2,1H3
InChIKeyRNKXUOFBBOGAEZ-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 53.73
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-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene?
The IUPAC name of 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene (CID 3282668) is 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene.
What is the SMILES notation for 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene?
The canonical SMILES for 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene is Cc1ccc(CC2CC2(Cl)Cl)cc1.
What is the InChIKey of 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene?
The InChIKey is RNKXUOFBBOGAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2/c1-8-2-4-9(5-3-8)6-10-7-11(10,12)13/h2-5,10H,6-7H2,1H3.
What are the key properties of 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene?
1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene has a molecular weight of 215.12 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene is sourced from PubChem (CID 3282668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).