1-phenyl-1-(4-phenylphenyl)propan-2-one

C21H18O — CID 156769575

IUPAC1-phenyl-1-(4-phenylphenyl)propan-2-one
SMILESCC(=O)C(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O/c1-16(22)21(19-10-6-3-7-11-19)20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2-15,21H,1H3
InChIKeyBYTCTFXMNQIFDV-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.07
Rot. Bonds4

About 1-phenyl-1-(4-phenylphenyl)propan-2-one

1-phenyl-1-(4-phenylphenyl)propan-2-one (PubChem CID 156769575) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-phenyl-1-(4-phenylphenyl)propan-2-one.

Molecular Properties

Compound Name1-phenyl-1-(4-phenylphenyl)propan-2-one
PubChem CID156769575
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name1-phenyl-1-(4-phenylphenyl)propan-2-one
SMILESCC(=O)C(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O/c1-16(22)21(19-10-6-3-7-11-19)20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2-15,21H,1H3
InChIKeyBYTCTFXMNQIFDV-UHFFFAOYSA-N
XLogP5.07
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 ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-phenyl-2-(4-phenylphenyl)acetic acid
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1,1-bis[4-(2-phenylethynyl)phenyl]propan-2-one
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acetic acid;1,1'-biphenyl;ethane
CID 91464981
acetic acid;1,1'-biphenyl;zinc
CID 70522083
(4R)-4-methyl-1,1-diphenylhexane-2,5-dione
CID 159281542
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide
CID 54785301
1-(5-methyl-3-phenylfuran-2-yl)-1-phenylpropan-2-one
CID 12592856
1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one
CID 70513343
acetic acid;1-iodosyl-4-phenylbenzene
CID 160591801
3-hydroxy-1,1-diphenylbutan-2-one
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3-oxo-2-(3-phenylphenyl)butanoic acid
CID 139972260

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(4-phenylphenyl)propan-2-one?
The IUPAC name of 1-phenyl-1-(4-phenylphenyl)propan-2-one (CID 156769575) is 1-phenyl-1-(4-phenylphenyl)propan-2-one.
What is the SMILES notation for 1-phenyl-1-(4-phenylphenyl)propan-2-one?
The canonical SMILES for 1-phenyl-1-(4-phenylphenyl)propan-2-one is CC(=O)C(c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-1-(4-phenylphenyl)propan-2-one?
The InChIKey is BYTCTFXMNQIFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c1-16(22)21(19-10-6-3-7-11-19)20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2-15,21H,1H3.
What are the key properties of 1-phenyl-1-(4-phenylphenyl)propan-2-one?
1-phenyl-1-(4-phenylphenyl)propan-2-one has a molecular weight of 286.37 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(4-phenylphenyl)propan-2-one is sourced from PubChem (CID 156769575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).