3,4-dimethyl-2,2-diphenyloxetane

C17H18O — CID 14290990

IUPAC3,4-dimethyl-2,2-diphenyloxetane
SMILESCC1OC(c2ccccc2)(c2ccccc2)C1C
InChIInChI=1S/C17H18O/c1-13-14(2)18-17(13,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyLGNZRGSLFXXKCC-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.98
Rot. Bonds2

About 3,4-dimethyl-2,2-diphenyloxetane

3,4-dimethyl-2,2-diphenyloxetane (PubChem CID 14290990) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3,4-dimethyl-2,2-diphenyloxetane.

Molecular Properties

Compound Name3,4-dimethyl-2,2-diphenyloxetane
PubChem CID14290990
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name3,4-dimethyl-2,2-diphenyloxetane
SMILESCC1OC(c2ccccc2)(c2ccccc2)C1C
InChIInChI=1S/C17H18O/c1-13-14(2)18-17(13,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyLGNZRGSLFXXKCC-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,2-diphenyloxetane?
The IUPAC name of 3,4-dimethyl-2,2-diphenyloxetane (CID 14290990) is 3,4-dimethyl-2,2-diphenyloxetane.
What is the SMILES notation for 3,4-dimethyl-2,2-diphenyloxetane?
The canonical SMILES for 3,4-dimethyl-2,2-diphenyloxetane is CC1OC(c2ccccc2)(c2ccccc2)C1C.
What is the InChIKey of 3,4-dimethyl-2,2-diphenyloxetane?
The InChIKey is LGNZRGSLFXXKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-13-14(2)18-17(13,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,1-2H3.
What are the key properties of 3,4-dimethyl-2,2-diphenyloxetane?
3,4-dimethyl-2,2-diphenyloxetane has a molecular weight of 238.33 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,2-diphenyloxetane is sourced from PubChem (CID 14290990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).