1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene

C14H19Cl — CID 166650675

IUPAC1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene
SMILESClCc1cccc(CCCC2CCC2)c1
InChIInChI=1S/C14H19Cl/c15-11-14-9-3-8-13(10-14)7-2-6-12-4-1-5-12/h3,8-10,12H,1-2,4-7,11H2
InChIKeyVLRHHZQGKYNSKW-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.55
Rot. Bonds5

About 1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene

1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene (PubChem CID 166650675) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene
PubChem CID166650675
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene
SMILESClCc1cccc(CCCC2CCC2)c1
InChIInChI=1S/C14H19Cl/c15-11-14-9-3-8-13(10-14)7-2-6-12-4-1-5-12/h3,8-10,12H,1-2,4-7,11H2
InChIKeyVLRHHZQGKYNSKW-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-cyclopentylpropyl)-3-fluorobenzene
CID 118922459
1-(5-cyclohexylpentyl)-3-ethylbenzene
CID 91406519
1-(3-cyclohexylpropyl)-3-ethoxybenzene
CID 91039884
1,3-bis(2-cyclopropylethyl)-5-methylbenzene;1-(3-cyclopropylpropyl)-3-pentylbenzene
CID 170966148
CID 68767970
CID 68767970
4-cyclopropylbutylbenzene
CID 10261592
1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene
CID 154060470
1-(3-cyclopentylpropyl)-4-methylbenzene
CID 149264652
4-[3-(3-methylsulfanylphenyl)propyl]piperidine
CID 170341997
1-(4-cyclopropylbutyl)-3-phenoxybenzene
CID 150391471
1-(7-cyclopentylheptoxy)-3-nonylbenzene
CID 173313656
2-[3,5-bis(3-cyclopropylpropyl)phenyl]ethanol
CID 169005685

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene?
The IUPAC name of 1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene (CID 166650675) is 1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene.
What is the SMILES notation for 1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene?
The canonical SMILES for 1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene is ClCc1cccc(CCCC2CCC2)c1.
What is the InChIKey of 1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene?
The InChIKey is VLRHHZQGKYNSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c15-11-14-9-3-8-13(10-14)7-2-6-12-4-1-5-12/h3,8-10,12H,1-2,4-7,11H2.
What are the key properties of 1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene?
1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene has a molecular weight of 222.76 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene is sourced from PubChem (CID 166650675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).