1-(3-tert-butylcyclobutyl)-2-chlorobenzene

C14H19Cl — CID 135182977

IUPAC1-(3-tert-butylcyclobutyl)-2-chlorobenzene
SMILESCC(C)(C)C1CC(c2ccccc2Cl)C1
InChIInChI=1S/C14H19Cl/c1-14(2,3)11-8-10(9-11)12-6-4-5-7-13(12)15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyCIEUEBHYDLDYFG-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.88
Rot. Bonds1

About 1-(3-tert-butylcyclobutyl)-2-chlorobenzene

1-(3-tert-butylcyclobutyl)-2-chlorobenzene (PubChem CID 135182977) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 1-(3-tert-butylcyclobutyl)-2-chlorobenzene.

Molecular Properties

Compound Name1-(3-tert-butylcyclobutyl)-2-chlorobenzene
PubChem CID135182977
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name1-(3-tert-butylcyclobutyl)-2-chlorobenzene
SMILESCC(C)(C)C1CC(c2ccccc2Cl)C1
InChIInChI=1S/C14H19Cl/c1-14(2,3)11-8-10(9-11)12-6-4-5-7-13(12)15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyCIEUEBHYDLDYFG-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylcyclobutyl)-2-chlorobenzene?
The IUPAC name of 1-(3-tert-butylcyclobutyl)-2-chlorobenzene (CID 135182977) is 1-(3-tert-butylcyclobutyl)-2-chlorobenzene.
What is the SMILES notation for 1-(3-tert-butylcyclobutyl)-2-chlorobenzene?
The canonical SMILES for 1-(3-tert-butylcyclobutyl)-2-chlorobenzene is CC(C)(C)C1CC(c2ccccc2Cl)C1.
What is the InChIKey of 1-(3-tert-butylcyclobutyl)-2-chlorobenzene?
The InChIKey is CIEUEBHYDLDYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c1-14(2,3)11-8-10(9-11)12-6-4-5-7-13(12)15/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 1-(3-tert-butylcyclobutyl)-2-chlorobenzene?
1-(3-tert-butylcyclobutyl)-2-chlorobenzene has a molecular weight of 222.76 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylcyclobutyl)-2-chlorobenzene is sourced from PubChem (CID 135182977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).