1-[4-(4-acetylphenyl)phenyl]pentan-1-one

C19H20O2 — CID 10989623

IUPAC1-[4-(4-acetylphenyl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H20O2/c1-3-4-5-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14(2)20/h6-13H,3-5H2,1-2H3
InChIKeyHYLVFZPNCGXNFO-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.93
Rot. Bonds6

About 1-[4-(4-acetylphenyl)phenyl]pentan-1-one

1-[4-(4-acetylphenyl)phenyl]pentan-1-one (PubChem CID 10989623) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)phenyl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)phenyl]pentan-1-one
PubChem CID10989623
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-[4-(4-acetylphenyl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H20O2/c1-3-4-5-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14(2)20/h6-13H,3-5H2,1-2H3
InChIKeyHYLVFZPNCGXNFO-UHFFFAOYSA-N
XLogP4.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
1-[4-(4-propylphenyl)phenyl]pentan-1-one
CID 142331606
1-[4-[2,3,4,5,6-pentakis(4-dodecanoylphenyl)phenyl]phenyl]dodecan-1-one
CID 101036132
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
ethane;1-phenylpentan-1-one
CID 143728184
1-(4-acetylphenyl)-5,5-dimethylhexan-1-one
CID 59887123
1-[4-[4-(3-fluoro-4-pentylphenyl)phenyl]phenyl]pentan-1-one
CID 142331681
1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
1-[4-(4-octylsulfanylphenyl)phenyl]ethanone
CID 70461281
1-(4-chlorophenyl)heptan-1-one
CID 12510889
1-(4-chlorophenyl)octadecan-1-one
CID 3660100

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)phenyl]pentan-1-one?
The IUPAC name of 1-[4-(4-acetylphenyl)phenyl]pentan-1-one (CID 10989623) is 1-[4-(4-acetylphenyl)phenyl]pentan-1-one.
What is the SMILES notation for 1-[4-(4-acetylphenyl)phenyl]pentan-1-one?
The canonical SMILES for 1-[4-(4-acetylphenyl)phenyl]pentan-1-one is CCCCC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)phenyl]pentan-1-one?
The InChIKey is HYLVFZPNCGXNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-4-5-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14(2)20/h6-13H,3-5H2,1-2H3.
What are the key properties of 1-[4-(4-acetylphenyl)phenyl]pentan-1-one?
1-[4-(4-acetylphenyl)phenyl]pentan-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)phenyl]pentan-1-one is sourced from PubChem (CID 10989623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).