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

C15H15Cl — CID 43840277

IUPAC1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene
SMILESCc1ccc(-c2ccccc2CCl)c(C)c1
InChIInChI=1S/C15H15Cl/c1-11-7-8-14(12(2)9-11)15-6-4-3-5-13(15)10-16/h3-9H,10H2,1-2H3
InChIKeyVZHAJHYSAPACAG-UHFFFAOYSA-N
MW230.74 g/mol
LogP4.71
Rot. Bonds2

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

1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene (PubChem CID 43840277) has the molecular formula C15H15Cl and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene
PubChem CID43840277
Molecular FormulaC15H15Cl
Molecular Weight230.74 g/mol
Exact Mass230.09
IUPAC Name1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene
SMILESCc1ccc(-c2ccccc2CCl)c(C)c1
InChIInChI=1S/C15H15Cl/c1-11-7-8-14(12(2)9-11)15-6-4-3-5-13(15)10-16/h3-9H,10H2,1-2H3
InChIKeyVZHAJHYSAPACAG-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 54.71
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-(chloromethyl)phenyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene (CID 43840277) is 1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene is Cc1ccc(-c2ccccc2CCl)c(C)c1.
What is the InChIKey of 1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene?
The InChIKey is VZHAJHYSAPACAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl/c1-11-7-8-14(12(2)9-11)15-6-4-3-5-13(15)10-16/h3-9H,10H2,1-2H3.
What are the key properties of 1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene?
1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene has a molecular weight of 230.74 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene is sourced from PubChem (CID 43840277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).