1-(dichloromethyl)-2,3,4,5-tetramethylbenzene

C11H14Cl2 — CID 154150593

IUPAC1-(dichloromethyl)-2,3,4,5-tetramethylbenzene
SMILESCc1cc(C(Cl)Cl)c(C)c(C)c1C
InChIInChI=1S/C11H14Cl2/c1-6-5-10(11(12)13)9(4)8(3)7(6)2/h5,11H,1-4H3
InChIKeyFZKQBXSRAKKKJQ-UHFFFAOYSA-N
MW217.14 g/mol
LogP4.40
Rot. Bonds1

About 1-(dichloromethyl)-2,3,4,5-tetramethylbenzene

1-(dichloromethyl)-2,3,4,5-tetramethylbenzene (PubChem CID 154150593) has the molecular formula C11H14Cl2 and a molecular weight of 217.14 g/mol. Its IUPAC name is 1-(dichloromethyl)-2,3,4,5-tetramethylbenzene.

Molecular Properties

Compound Name1-(dichloromethyl)-2,3,4,5-tetramethylbenzene
PubChem CID154150593
Molecular FormulaC11H14Cl2
Molecular Weight217.14 g/mol
Exact Mass216.05
IUPAC Name1-(dichloromethyl)-2,3,4,5-tetramethylbenzene
SMILESCc1cc(C(Cl)Cl)c(C)c(C)c1C
InChIInChI=1S/C11H14Cl2/c1-6-5-10(11(12)13)9(4)8(3)7(6)2/h5,11H,1-4H3
InChIKeyFZKQBXSRAKKKJQ-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 54.40
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-(dichloromethyl)-2,3,4,5-tetramethylbenzene?
The IUPAC name of 1-(dichloromethyl)-2,3,4,5-tetramethylbenzene (CID 154150593) is 1-(dichloromethyl)-2,3,4,5-tetramethylbenzene.
What is the SMILES notation for 1-(dichloromethyl)-2,3,4,5-tetramethylbenzene?
The canonical SMILES for 1-(dichloromethyl)-2,3,4,5-tetramethylbenzene is Cc1cc(C(Cl)Cl)c(C)c(C)c1C.
What is the InChIKey of 1-(dichloromethyl)-2,3,4,5-tetramethylbenzene?
The InChIKey is FZKQBXSRAKKKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2/c1-6-5-10(11(12)13)9(4)8(3)7(6)2/h5,11H,1-4H3.
What are the key properties of 1-(dichloromethyl)-2,3,4,5-tetramethylbenzene?
1-(dichloromethyl)-2,3,4,5-tetramethylbenzene has a molecular weight of 217.14 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)-2,3,4,5-tetramethylbenzene is sourced from PubChem (CID 154150593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).