1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one

C21H24O2 — CID 134887749

IUPAC1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(CCCc2ccc(C(=O)CC)cc2)cc1
InChIInChI=1S/C21H24O2/c1-3-20(22)18-12-8-16(9-13-18)6-5-7-17-10-14-19(15-11-17)21(23)4-2/h8-15H,3-7H2,1-2H3
InChIKeyVPGTYJIHJXWTIS-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.05
Rot. Bonds8

About 1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one

1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one (PubChem CID 134887749) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one
PubChem CID134887749
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(CCCc2ccc(C(=O)CC)cc2)cc1
InChIInChI=1S/C21H24O2/c1-3-20(22)18-12-8-16(9-13-18)6-5-7-17-10-14-19(15-11-17)21(23)4-2/h8-15H,3-7H2,1-2H3
InChIKeyVPGTYJIHJXWTIS-UHFFFAOYSA-N
XLogP5.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one
CID 4244816
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
potassium 1-(4-ethylphenyl)propan-1-one
CID 153337070
1-(4-butylphenyl)-2-sulfanylethanone
CID 94681416
1-(4-butylphenyl)heptane-1,5-dione
CID 58301472
1-(4-butylphenyl)-3-methylbutan-1-one
CID 43160107
2-bromo-1-(4-octylphenyl)ethanone
CID 11301375
1-(4-aminophenyl)propan-1-one
CID 6270
ethane;1-(4-hydroxyphenyl)propan-1-one
CID 144611752
2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide
CID 57296109

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one?
The IUPAC name of 1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one (CID 134887749) is 1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one is CCC(=O)c1ccc(CCCc2ccc(C(=O)CC)cc2)cc1.
What is the InChIKey of 1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one?
The InChIKey is VPGTYJIHJXWTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-3-20(22)18-12-8-16(9-13-18)6-5-7-17-10-14-19(15-11-17)21(23)4-2/h8-15H,3-7H2,1-2H3.
What are the key properties of 1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one?
1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one has a molecular weight of 308.42 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one is sourced from PubChem (CID 134887749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).