3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane

C15H22O2 — CID 116876033

IUPAC3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane
SMILESCOc1ccc(C2(C)COC2)cc1C(C)(C)C
InChIInChI=1S/C15H22O2/c1-14(2,3)12-8-11(6-7-13(12)16-5)15(4)9-17-10-15/h6-8H,9-10H2,1-5H3
InChIKeyMBWFUVPEHGKCTR-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.28
Rot. Bonds2

About 3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane

3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane (PubChem CID 116876033) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane.

Molecular Properties

Compound Name3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane
PubChem CID116876033
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane
SMILESCOc1ccc(C2(C)COC2)cc1C(C)(C)C
InChIInChI=1S/C15H22O2/c1-14(2,3)12-8-11(6-7-13(12)16-5)15(4)9-17-10-15/h6-8H,9-10H2,1-5H3
InChIKeyMBWFUVPEHGKCTR-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane?
The IUPAC name of 3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane (CID 116876033) is 3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane.
What is the SMILES notation for 3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane?
The canonical SMILES for 3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane is COc1ccc(C2(C)COC2)cc1C(C)(C)C.
What is the InChIKey of 3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane?
The InChIKey is MBWFUVPEHGKCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-14(2,3)12-8-11(6-7-13(12)16-5)15(4)9-17-10-15/h6-8H,9-10H2,1-5H3.
What are the key properties of 3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane?
3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane has a molecular weight of 234.34 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane is sourced from PubChem (CID 116876033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).