1-(3-phenyl-2-propan-2-ylphenyl)ethanone

C17H18O — CID 139652419

IUPAC1-(3-phenyl-2-propan-2-ylphenyl)ethanone
SMILESCC(=O)c1cccc(-c2ccccc2)c1C(C)C
InChIInChI=1S/C17H18O/c1-12(2)17-15(13(3)18)10-7-11-16(17)14-8-5-4-6-9-14/h4-12H,1-3H3
InChIKeyBWNBYKUDXYYODQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.68
Rot. Bonds3

About 1-(3-phenyl-2-propan-2-ylphenyl)ethanone

1-(3-phenyl-2-propan-2-ylphenyl)ethanone (PubChem CID 139652419) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3-phenyl-2-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-phenyl-2-propan-2-ylphenyl)ethanone
PubChem CID139652419
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-(3-phenyl-2-propan-2-ylphenyl)ethanone
SMILESCC(=O)c1cccc(-c2ccccc2)c1C(C)C
InChIInChI=1S/C17H18O/c1-12(2)17-15(13(3)18)10-7-11-16(17)14-8-5-4-6-9-14/h4-12H,1-3H3
InChIKeyBWNBYKUDXYYODQ-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-phenyl-2-propan-2-ylphenyl)ethanone 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 1-(3-phenyl-2-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(3-phenyl-2-propan-2-ylphenyl)ethanone (CID 139652419) is 1-(3-phenyl-2-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-phenyl-2-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(3-phenyl-2-propan-2-ylphenyl)ethanone is CC(=O)c1cccc(-c2ccccc2)c1C(C)C.
What is the InChIKey of 1-(3-phenyl-2-propan-2-ylphenyl)ethanone?
The InChIKey is BWNBYKUDXYYODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-12(2)17-15(13(3)18)10-7-11-16(17)14-8-5-4-6-9-14/h4-12H,1-3H3.
What are the key properties of 1-(3-phenyl-2-propan-2-ylphenyl)ethanone?
1-(3-phenyl-2-propan-2-ylphenyl)ethanone has a molecular weight of 238.33 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-2-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 139652419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).