1-chloro-3-cyclobutylbenzene;methane

C11H15Cl — CID 178166077

IUPAC1-chloro-3-cyclobutylbenzene;methane
SMILESC.Clc1cccc(C2CCC2)c1
InChIInChI=1S/C10H11Cl.CH4/c11-10-6-2-5-9(7-10)8-3-1-4-8;/h2,5-8H,1,3-4H2;1H4
InChIKeyHQSUIOBEXQIHII-UHFFFAOYSA-N
MW182.69 g/mol
LogP4.24
Rot. Bonds1

About 1-chloro-3-cyclobutylbenzene;methane

1-chloro-3-cyclobutylbenzene;methane (PubChem CID 178166077) has the molecular formula C11H15Cl and a molecular weight of 182.69 g/mol. Its IUPAC name is 1-chloro-3-cyclobutylbenzene;methane.

Molecular Properties

Compound Name1-chloro-3-cyclobutylbenzene;methane
PubChem CID178166077
Molecular FormulaC11H15Cl
Molecular Weight182.69 g/mol
Exact Mass182.09
IUPAC Name1-chloro-3-cyclobutylbenzene;methane
SMILESC.Clc1cccc(C2CCC2)c1
InChIInChI=1S/C10H11Cl.CH4/c11-10-6-2-5-9(7-10)8-3-1-4-8;/h2,5-8H,1,3-4H2;1H4
InChIKeyHQSUIOBEXQIHII-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.69
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-(3-chlorophenyl)cyclohexan-1-ol
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CID 115033115
2-(3-chlorophenyl)cyclobutan-1-ol
CID 126971921
2,4-bis(3-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-one
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-cyclobutylbenzene;methane?
The IUPAC name of 1-chloro-3-cyclobutylbenzene;methane (CID 178166077) is 1-chloro-3-cyclobutylbenzene;methane.
What is the SMILES notation for 1-chloro-3-cyclobutylbenzene;methane?
The canonical SMILES for 1-chloro-3-cyclobutylbenzene;methane is C.Clc1cccc(C2CCC2)c1.
What is the InChIKey of 1-chloro-3-cyclobutylbenzene;methane?
The InChIKey is HQSUIOBEXQIHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl.CH4/c11-10-6-2-5-9(7-10)8-3-1-4-8;/h2,5-8H,1,3-4H2;1H4.
What are the key properties of 1-chloro-3-cyclobutylbenzene;methane?
1-chloro-3-cyclobutylbenzene;methane has a molecular weight of 182.69 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-cyclobutylbenzene;methane is sourced from PubChem (CID 178166077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).