1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone

C22H18O2 — CID 141053686

IUPAC1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C(C)=O)ccc2-c2ccccc2)cc1
InChIInChI=1S/C22H18O2/c1-15(23)17-8-10-19(11-9-17)22-14-20(16(2)24)12-13-21(22)18-6-4-3-5-7-18/h3-14H,1-2H3
InChIKeyHUBGGYOJCMDSES-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.43
Rot. Bonds4

About 1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone

1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone (PubChem CID 141053686) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
PubChem CID141053686
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C(C)=O)ccc2-c2ccccc2)cc1
InChIInChI=1S/C22H18O2/c1-15(23)17-8-10-19(11-9-17)22-14-20(16(2)24)12-13-21(22)18-6-4-3-5-7-18/h3-14H,1-2H3
InChIKeyHUBGGYOJCMDSES-UHFFFAOYSA-N
XLogP5.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5284607
Anthraquinone
CID 6780
Vitamin K
CID 5280483
Menatetrenone
CID 5282367
9,10-Phenanthrenedione
CID 6763
Diphacinone
CID 6719
Anthrone
CID 7018
Tonalide
CID 89440
Benzanthrone
CID 6697
2-Acetylnaphthalene
CID 7122
Benzil
CID 8651
Miltirone
CID 160142

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone?
The IUPAC name of 1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone (CID 141053686) is 1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone is CC(=O)c1ccc(-c2cc(C(C)=O)ccc2-c2ccccc2)cc1.
What is the InChIKey of 1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone?
The InChIKey is HUBGGYOJCMDSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-15(23)17-8-10-19(11-9-17)22-14-20(16(2)24)12-13-21(22)18-6-4-3-5-7-18/h3-14H,1-2H3.
What are the key properties of 1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone?
1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone has a molecular weight of 314.38 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone is sourced from PubChem (CID 141053686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).