2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene

C13H17Cl — CID 81358320

IUPAC2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C2(C)CC2CCl)c1
InChIInChI=1S/C13H17Cl/c1-9-4-5-10(2)12(6-9)13(3)7-11(13)8-14/h4-6,11H,7-8H2,1-3H3
InChIKeyFNAMFTLBMMJKCD-UHFFFAOYSA-N
MW208.73 g/mol
LogP3.82
Rot. Bonds2

About 2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene

2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene (PubChem CID 81358320) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene
PubChem CID81358320
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C2(C)CC2CCl)c1
InChIInChI=1S/C13H17Cl/c1-9-4-5-10(2)12(6-9)13(3)7-11(13)8-14/h4-6,11H,7-8H2,1-3H3
InChIKeyFNAMFTLBMMJKCD-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
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 2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene (CID 81358320) is 2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene is Cc1ccc(C)c(C2(C)CC2CCl)c1.
What is the InChIKey of 2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene?
The InChIKey is FNAMFTLBMMJKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c1-9-4-5-10(2)12(6-9)13(3)7-11(13)8-14/h4-6,11H,7-8H2,1-3H3.
What are the key properties of 2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene?
2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene has a molecular weight of 208.73 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene is sourced from PubChem (CID 81358320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).