4-methyl-3,3-diphenyloxetan-2-one

C16H14O2 — CID 87128562

IUPAC4-methyl-3,3-diphenyloxetan-2-one
SMILESCC1OC(=O)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O2/c1-12-16(15(17)18-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyZCTVGIUKGVCLLW-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.92
Rot. Bonds2

About 4-methyl-3,3-diphenyloxetan-2-one

4-methyl-3,3-diphenyloxetan-2-one (PubChem CID 87128562) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-methyl-3,3-diphenyloxetan-2-one.

Molecular Properties

Compound Name4-methyl-3,3-diphenyloxetan-2-one
PubChem CID87128562
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name4-methyl-3,3-diphenyloxetan-2-one
SMILESCC1OC(=O)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O2/c1-12-16(15(17)18-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyZCTVGIUKGVCLLW-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,3-diphenyloxetan-2-one?
The IUPAC name of 4-methyl-3,3-diphenyloxetan-2-one (CID 87128562) is 4-methyl-3,3-diphenyloxetan-2-one.
What is the SMILES notation for 4-methyl-3,3-diphenyloxetan-2-one?
The canonical SMILES for 4-methyl-3,3-diphenyloxetan-2-one is CC1OC(=O)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-methyl-3,3-diphenyloxetan-2-one?
The InChIKey is ZCTVGIUKGVCLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-12-16(15(17)18-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of 4-methyl-3,3-diphenyloxetan-2-one?
4-methyl-3,3-diphenyloxetan-2-one has a molecular weight of 238.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,3-diphenyloxetan-2-one is sourced from PubChem (CID 87128562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).