3-(4-ethenylphenyl)-4-methyl-4-phenyloxetan-2-one

C18H16O2 — CID 58900975

IUPAC3-(4-ethenylphenyl)-4-methyl-4-phenyloxetan-2-one
SMILESC=Cc1ccc(C2C(=O)OC2(C)c2ccccc2)cc1
InChIInChI=1S/C18H16O2/c1-3-13-9-11-14(12-10-13)16-17(19)20-18(16,2)15-7-5-4-6-8-15/h3-12,16H,1H2,2H3
InChIKeyBNIDPZXFMOXSPR-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.89
Rot. Bonds3

About 3-(4-ethenylphenyl)-4-methyl-4-phenyloxetan-2-one

3-(4-ethenylphenyl)-4-methyl-4-phenyloxetan-2-one (PubChem CID 58900975) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(4-ethenylphenyl)-4-methyl-4-phenyloxetan-2-one.

Molecular Properties

Compound Name3-(4-ethenylphenyl)-4-methyl-4-phenyloxetan-2-one
PubChem CID58900975
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name3-(4-ethenylphenyl)-4-methyl-4-phenyloxetan-2-one
SMILESC=Cc1ccc(C2C(=O)OC2(C)c2ccccc2)cc1
InChIInChI=1S/C18H16O2/c1-3-13-9-11-14(12-10-13)16-17(19)20-18(16,2)15-7-5-4-6-8-15/h3-12,16H,1H2,2H3
InChIKeyBNIDPZXFMOXSPR-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.89
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 3-(4-ethenylphenyl)-4-methyl-4-phenyloxetan-2-one?
The IUPAC name of 3-(4-ethenylphenyl)-4-methyl-4-phenyloxetan-2-one (CID 58900975) is 3-(4-ethenylphenyl)-4-methyl-4-phenyloxetan-2-one.
What is the SMILES notation for 3-(4-ethenylphenyl)-4-methyl-4-phenyloxetan-2-one?
The canonical SMILES for 3-(4-ethenylphenyl)-4-methyl-4-phenyloxetan-2-one is C=Cc1ccc(C2C(=O)OC2(C)c2ccccc2)cc1.
What is the InChIKey of 3-(4-ethenylphenyl)-4-methyl-4-phenyloxetan-2-one?
The InChIKey is BNIDPZXFMOXSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-3-13-9-11-14(12-10-13)16-17(19)20-18(16,2)15-7-5-4-6-8-15/h3-12,16H,1H2,2H3.
What are the key properties of 3-(4-ethenylphenyl)-4-methyl-4-phenyloxetan-2-one?
3-(4-ethenylphenyl)-4-methyl-4-phenyloxetan-2-one has a molecular weight of 264.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethenylphenyl)-4-methyl-4-phenyloxetan-2-one is sourced from PubChem (CID 58900975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).