2-(2-chloro-6-methylphenyl)-2-methyloxetane

C11H13ClO — CID 134946555

IUPAC2-(2-chloro-6-methylphenyl)-2-methyloxetane
SMILESCc1cccc(Cl)c1C1(C)CCO1
InChIInChI=1S/C11H13ClO/c1-8-4-3-5-9(12)10(8)11(2)6-7-13-11/h3-5H,6-7H2,1-2H3
InChIKeyPEORZLHPFGUMCX-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.28
Rot. Bonds1

About 2-(2-chloro-6-methylphenyl)-2-methyloxetane

2-(2-chloro-6-methylphenyl)-2-methyloxetane (PubChem CID 134946555) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-(2-chloro-6-methylphenyl)-2-methyloxetane.

Molecular Properties

Compound Name2-(2-chloro-6-methylphenyl)-2-methyloxetane
PubChem CID134946555
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name2-(2-chloro-6-methylphenyl)-2-methyloxetane
SMILESCc1cccc(Cl)c1C1(C)CCO1
InChIInChI=1S/C11H13ClO/c1-8-4-3-5-9(12)10(8)11(2)6-7-13-11/h3-5H,6-7H2,1-2H3
InChIKeyPEORZLHPFGUMCX-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylphenyl)-2-methyloxetane?
The IUPAC name of 2-(2-chloro-6-methylphenyl)-2-methyloxetane (CID 134946555) is 2-(2-chloro-6-methylphenyl)-2-methyloxetane.
What is the SMILES notation for 2-(2-chloro-6-methylphenyl)-2-methyloxetane?
The canonical SMILES for 2-(2-chloro-6-methylphenyl)-2-methyloxetane is Cc1cccc(Cl)c1C1(C)CCO1.
What is the InChIKey of 2-(2-chloro-6-methylphenyl)-2-methyloxetane?
The InChIKey is PEORZLHPFGUMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-8-4-3-5-9(12)10(8)11(2)6-7-13-11/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-(2-chloro-6-methylphenyl)-2-methyloxetane?
2-(2-chloro-6-methylphenyl)-2-methyloxetane has a molecular weight of 196.68 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylphenyl)-2-methyloxetane is sourced from PubChem (CID 134946555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).