4-(chloromethyl)-2-methyl-1-propylbenzene

C11H15Cl — CID 91499094

IUPAC4-(chloromethyl)-2-methyl-1-propylbenzene
SMILESCCCc1ccc(CCl)cc1C
InChIInChI=1S/C11H15Cl/c1-3-4-11-6-5-10(8-12)7-9(11)2/h5-7H,3-4,8H2,1-2H3
InChIKeyFEZAUQAHOXSLCE-UHFFFAOYSA-N
MW182.69 g/mol
LogP3.69
Rot. Bonds3

About 4-(chloromethyl)-2-methyl-1-propylbenzene

4-(chloromethyl)-2-methyl-1-propylbenzene (PubChem CID 91499094) has the molecular formula C11H15Cl and a molecular weight of 182.69 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methyl-1-propylbenzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-methyl-1-propylbenzene
PubChem CID91499094
Molecular FormulaC11H15Cl
Molecular Weight182.69 g/mol
Exact Mass182.09
IUPAC Name4-(chloromethyl)-2-methyl-1-propylbenzene
SMILESCCCc1ccc(CCl)cc1C
InChIInChI=1S/C11H15Cl/c1-3-4-11-6-5-10(8-12)7-9(11)2/h5-7H,3-4,8H2,1-2H3
InChIKeyFEZAUQAHOXSLCE-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.69
LogP ≤ 53.69
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 4-(chloromethyl)-2-methyl-1-propylbenzene?
The IUPAC name of 4-(chloromethyl)-2-methyl-1-propylbenzene (CID 91499094) is 4-(chloromethyl)-2-methyl-1-propylbenzene.
What is the SMILES notation for 4-(chloromethyl)-2-methyl-1-propylbenzene?
The canonical SMILES for 4-(chloromethyl)-2-methyl-1-propylbenzene is CCCc1ccc(CCl)cc1C.
What is the InChIKey of 4-(chloromethyl)-2-methyl-1-propylbenzene?
The InChIKey is FEZAUQAHOXSLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl/c1-3-4-11-6-5-10(8-12)7-9(11)2/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-methyl-1-propylbenzene?
4-(chloromethyl)-2-methyl-1-propylbenzene has a molecular weight of 182.69 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-methyl-1-propylbenzene is sourced from PubChem (CID 91499094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).