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

C20H24O — CID 142331606

IUPAC1-[4-(4-propylphenyl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1ccc(-c2ccc(CCC)cc2)cc1
InChIInChI=1S/C20H24O/c1-3-5-7-20(21)19-14-12-18(13-15-19)17-10-8-16(6-4-2)9-11-17/h8-15H,3-7H2,1-2H3
InChIKeyPFZXHHDVGLZLJQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.68
Rot. Bonds7

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

1-[4-(4-propylphenyl)phenyl]pentan-1-one (PubChem CID 142331606) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[4-(4-propylphenyl)phenyl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(4-propylphenyl)phenyl]pentan-1-one
PubChem CID142331606
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-[4-(4-propylphenyl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1ccc(-c2ccc(CCC)cc2)cc1
InChIInChI=1S/C20H24O/c1-3-5-7-20(21)19-14-12-18(13-15-19)17-10-8-16(6-4-2)9-11-17/h8-15H,3-7H2,1-2H3
InChIKeyPFZXHHDVGLZLJQ-UHFFFAOYSA-N
XLogP5.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-propylphenyl)decan-1-one
CID 65449493
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
3-methylsulfanyl-1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 146007939
1-[4-(4-acetylphenyl)phenyl]pentan-1-one
CID 10989623
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
1-[4-(4-pentylphenyl)phenyl]heptane-1,3-dione
CID 20503237
1-(4-butylphenyl)heptane-1,5-dione
CID 58301472
1-(4-butylphenyl)-5-chloropentan-1-one
CID 146005458
6-bromo-1-(4-butylphenyl)hexan-1-one
CID 146005459
7-(4-butylphenyl)-7-oxoheptanoic acid
CID 24727167
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propylphenyl)phenyl]pentan-1-one?
The IUPAC name of 1-[4-(4-propylphenyl)phenyl]pentan-1-one (CID 142331606) is 1-[4-(4-propylphenyl)phenyl]pentan-1-one.
What is the SMILES notation for 1-[4-(4-propylphenyl)phenyl]pentan-1-one?
The canonical SMILES for 1-[4-(4-propylphenyl)phenyl]pentan-1-one is CCCCC(=O)c1ccc(-c2ccc(CCC)cc2)cc1.
What is the InChIKey of 1-[4-(4-propylphenyl)phenyl]pentan-1-one?
The InChIKey is PFZXHHDVGLZLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-3-5-7-20(21)19-14-12-18(13-15-19)17-10-8-16(6-4-2)9-11-17/h8-15H,3-7H2,1-2H3.
What are the key properties of 1-[4-(4-propylphenyl)phenyl]pentan-1-one?
1-[4-(4-propylphenyl)phenyl]pentan-1-one has a molecular weight of 280.41 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propylphenyl)phenyl]pentan-1-one is sourced from PubChem (CID 142331606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).