1-(chloromethyl)-4-cyclobutylbenzene

C11H13Cl — CID 57236902

IUPAC1-(chloromethyl)-4-cyclobutylbenzene
SMILESClCc1ccc(C2CCC2)cc1
InChIInChI=1S/C11H13Cl/c12-8-9-4-6-11(7-5-9)10-2-1-3-10/h4-7,10H,1-3,8H2
InChIKeySBTDFAQEWXVTHL-UHFFFAOYSA-N
MW180.68 g/mol
LogP3.69
Rot. Bonds2

About 1-(chloromethyl)-4-cyclobutylbenzene

1-(chloromethyl)-4-cyclobutylbenzene (PubChem CID 57236902) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 1-(chloromethyl)-4-cyclobutylbenzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-cyclobutylbenzene
PubChem CID57236902
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name1-(chloromethyl)-4-cyclobutylbenzene
SMILESClCc1ccc(C2CCC2)cc1
InChIInChI=1S/C11H13Cl/c12-8-9-4-6-11(7-5-9)10-2-1-3-10/h4-7,10H,1-3,8H2
InChIKeySBTDFAQEWXVTHL-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
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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Related Compounds

(4-cyclohexylphenyl)methanamine
CID 22246867
N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 115263158
2-(4-cyclobutylphenyl)-N-methylethanamine
CID 83829400
N-[(4-cyclopentylphenyl)methyl]hydroxylamine
CID 117282542
(4S)-4-[4-(chloromethyl)phenyl]piperidin-2-one
CID 124634482
1-(2-chloropropyl)-4-cyclohexylbenzene
CID 82255538
1-cyclobutyl-4-iodobenzene
CID 155973384
(4-cyclohexylphenyl)-dideuteriomethanol
CID 162410552
4-(4-cyclobutylphenyl)butan-2-one
CID 116506735
3-(4-cyclobutylphenyl)-N-methylpropan-1-amine
CID 116506759
1-cyclohexyl-4-(methylsulfanylmethyl)benzene
CID 59166778
1-(chloromethoxy)-4-cyclohexylbenzene
CID 166607753

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-cyclobutylbenzene?
The IUPAC name of 1-(chloromethyl)-4-cyclobutylbenzene (CID 57236902) is 1-(chloromethyl)-4-cyclobutylbenzene.
What is the SMILES notation for 1-(chloromethyl)-4-cyclobutylbenzene?
The canonical SMILES for 1-(chloromethyl)-4-cyclobutylbenzene is ClCc1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(chloromethyl)-4-cyclobutylbenzene?
The InChIKey is SBTDFAQEWXVTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c12-8-9-4-6-11(7-5-9)10-2-1-3-10/h4-7,10H,1-3,8H2.
What are the key properties of 1-(chloromethyl)-4-cyclobutylbenzene?
1-(chloromethyl)-4-cyclobutylbenzene has a molecular weight of 180.68 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-cyclobutylbenzene is sourced from PubChem (CID 57236902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).