1-(2,4-diphenylphenyl)propan-1-one

C21H18O — CID 151246876

IUPAC1-(2,4-diphenylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C21H18O/c1-2-21(22)19-14-13-18(16-9-5-3-6-10-16)15-20(19)17-11-7-4-8-12-17/h3-15H,2H2,1H3
InChIKeyNRMLNXORVUDKSQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.61
Rot. Bonds4

About 1-(2,4-diphenylphenyl)propan-1-one

1-(2,4-diphenylphenyl)propan-1-one (PubChem CID 151246876) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(2,4-diphenylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-diphenylphenyl)propan-1-one
PubChem CID151246876
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name1-(2,4-diphenylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C21H18O/c1-2-21(22)19-14-13-18(16-9-5-3-6-10-16)15-20(19)17-11-7-4-8-12-17/h3-15H,2H2,1H3
InChIKeyNRMLNXORVUDKSQ-UHFFFAOYSA-N
XLogP5.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diphenylphenyl)propan-1-one?
The IUPAC name of 1-(2,4-diphenylphenyl)propan-1-one (CID 151246876) is 1-(2,4-diphenylphenyl)propan-1-one.
What is the SMILES notation for 1-(2,4-diphenylphenyl)propan-1-one?
The canonical SMILES for 1-(2,4-diphenylphenyl)propan-1-one is CCC(=O)c1ccc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 1-(2,4-diphenylphenyl)propan-1-one?
The InChIKey is NRMLNXORVUDKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c1-2-21(22)19-14-13-18(16-9-5-3-6-10-16)15-20(19)17-11-7-4-8-12-17/h3-15H,2H2,1H3.
What are the key properties of 1-(2,4-diphenylphenyl)propan-1-one?
1-(2,4-diphenylphenyl)propan-1-one has a molecular weight of 286.37 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diphenylphenyl)propan-1-one is sourced from PubChem (CID 151246876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).