1-[3-(4-propan-2-ylphenyl)phenyl]ethanone

C17H18O — CID 61034135

IUPAC1-[3-(4-propan-2-ylphenyl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C17H18O/c1-12(2)14-7-9-15(10-8-14)17-6-4-5-16(11-17)13(3)18/h4-12H,1-3H3
InChIKeyKUTMBIUXULYBGB-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.68
Rot. Bonds3

About 1-[3-(4-propan-2-ylphenyl)phenyl]ethanone

1-[3-(4-propan-2-ylphenyl)phenyl]ethanone (PubChem CID 61034135) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-(4-propan-2-ylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(4-propan-2-ylphenyl)phenyl]ethanone
PubChem CID61034135
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-[3-(4-propan-2-ylphenyl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C17H18O/c1-12(2)14-7-9-15(10-8-14)17-6-4-5-16(11-17)13(3)18/h4-12H,1-3H3
InChIKeyKUTMBIUXULYBGB-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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propan-2-ylphenyl)phenyl]ethanone?
The IUPAC name of 1-[3-(4-propan-2-ylphenyl)phenyl]ethanone (CID 61034135) is 1-[3-(4-propan-2-ylphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(4-propan-2-ylphenyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(4-propan-2-ylphenyl)phenyl]ethanone is CC(=O)c1cccc(-c2ccc(C(C)C)cc2)c1.
What is the InChIKey of 1-[3-(4-propan-2-ylphenyl)phenyl]ethanone?
The InChIKey is KUTMBIUXULYBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-12(2)14-7-9-15(10-8-14)17-6-4-5-16(11-17)13(3)18/h4-12H,1-3H3.
What are the key properties of 1-[3-(4-propan-2-ylphenyl)phenyl]ethanone?
1-[3-(4-propan-2-ylphenyl)phenyl]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-(4-propan-2-ylphenyl)phenyl]ethanone is sourced from PubChem (CID 61034135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).