2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one

C15H20O — CID 81422518

IUPAC2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one
SMILESCCC1C(=O)C(C)(CC)C1c1ccccc1
InChIInChI=1S/C15H20O/c1-4-12-13(11-9-7-6-8-10-11)15(3,5-2)14(12)16/h6-10,12-13H,4-5H2,1-3H3
InChIKeySMZJFLFDAQHQSP-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.80
Rot. Bonds3

About 2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one

2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one (PubChem CID 81422518) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one.

Molecular Properties

Compound Name2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one
PubChem CID81422518
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one
SMILESCCC1C(=O)C(C)(CC)C1c1ccccc1
InChIInChI=1S/C15H20O/c1-4-12-13(11-9-7-6-8-10-11)15(3,5-2)14(12)16/h6-10,12-13H,4-5H2,1-3H3
InChIKeySMZJFLFDAQHQSP-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one?
The IUPAC name of 2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one (CID 81422518) is 2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one.
What is the SMILES notation for 2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one?
The canonical SMILES for 2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one is CCC1C(=O)C(C)(CC)C1c1ccccc1.
What is the InChIKey of 2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one?
The InChIKey is SMZJFLFDAQHQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-4-12-13(11-9-7-6-8-10-11)15(3,5-2)14(12)16/h6-10,12-13H,4-5H2,1-3H3.
What are the key properties of 2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one?
2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-2-methyl-3-phenylcyclobutan-1-one is sourced from PubChem (CID 81422518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).