1-[4-(4-benzylphenyl)phenyl]ethanone

C21H18O — CID 67858865

IUPAC1-[4-(4-benzylphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C21H18O/c1-16(22)19-11-13-21(14-12-19)20-9-7-18(8-10-20)15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyOIAYGNXJGCYRDT-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.15
Rot. Bonds4

About 1-[4-(4-benzylphenyl)phenyl]ethanone

1-[4-(4-benzylphenyl)phenyl]ethanone (PubChem CID 67858865) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[4-(4-benzylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-benzylphenyl)phenyl]ethanone
PubChem CID67858865
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name1-[4-(4-benzylphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C21H18O/c1-16(22)19-11-13-21(14-12-19)20-9-7-18(8-10-20)15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyOIAYGNXJGCYRDT-UHFFFAOYSA-N
XLogP5.15
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 ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-(4-phenylphenyl)ethanone
CID 123256888
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
CID 101265569
1,2-bis(4-benzylphenyl)ethane-1,2-dione
CID 141311981
acetic acid;4-acetylbenzoic acid;4-[(4-carboxyphenyl)methyl]benzoic acid;methane;naphthalene
CID 157146063
1,4-bis(4-benzylphenyl)benzene
CID 58251041
1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530
1-[4-[4-[(2,3,4,5,6-pentafluorophenyl)methyl]phenyl]phenyl]ethanone
CID 19967831
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
1-[4-(3-benzyl-1H-indol-2-yl)phenyl]ethanone
CID 101026071
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702
1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-benzylphenyl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-benzylphenyl)phenyl]ethanone (CID 67858865) is 1-[4-(4-benzylphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-benzylphenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-benzylphenyl)phenyl]ethanone is CC(=O)c1ccc(-c2ccc(Cc3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-(4-benzylphenyl)phenyl]ethanone?
The InChIKey is OIAYGNXJGCYRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c1-16(22)19-11-13-21(14-12-19)20-9-7-18(8-10-20)15-17-5-3-2-4-6-17/h2-14H,15H2,1H3.
What are the key properties of 1-[4-(4-benzylphenyl)phenyl]ethanone?
1-[4-(4-benzylphenyl)phenyl]ethanone has a molecular weight of 286.37 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-benzylphenyl)phenyl]ethanone is sourced from PubChem (CID 67858865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).