2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane

C14H18O2 — CID 66751710

IUPAC2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane
SMILESCC1(c2ccc(C3(C)CCO3)cc2)CCO1
InChIInChI=1S/C14H18O2/c1-13(7-9-15-13)11-3-5-12(6-4-11)14(2)8-10-16-14/h3-6H,7-10H2,1-2H3
InChIKeyBRYVVWMCMNYKKH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.96
Rot. Bonds2

About 2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane

2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane (PubChem CID 66751710) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane.

Molecular Properties

Compound Name2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane
PubChem CID66751710
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane
SMILESCC1(c2ccc(C3(C)CCO3)cc2)CCO1
InChIInChI=1S/C14H18O2/c1-13(7-9-15-13)11-3-5-12(6-4-11)14(2)8-10-16-14/h3-6H,7-10H2,1-2H3
InChIKeyBRYVVWMCMNYKKH-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane?
The IUPAC name of 2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane (CID 66751710) is 2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane.
What is the SMILES notation for 2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane?
The canonical SMILES for 2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane is CC1(c2ccc(C3(C)CCO3)cc2)CCO1.
What is the InChIKey of 2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane?
The InChIKey is BRYVVWMCMNYKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-13(7-9-15-13)11-3-5-12(6-4-11)14(2)8-10-16-14/h3-6H,7-10H2,1-2H3.
What are the key properties of 2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane?
2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane has a molecular weight of 218.30 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane is sourced from PubChem (CID 66751710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).