1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione

C23H28O2 — CID 23512927

IUPAC1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
SMILESCC(C)c1ccc(C(=O)CCCC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H28O2/c1-16(2)18-8-12-20(13-9-18)22(24)6-5-7-23(25)21-14-10-19(11-15-21)17(3)4/h8-17H,5-7H2,1-4H3
InChIKeyVBSDYNJIKFFSDN-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.17
Rot. Bonds8

About 1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione

1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione (PubChem CID 23512927) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione.

Molecular Properties

Compound Name1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
PubChem CID23512927
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
SMILESCC(C)c1ccc(C(=O)CCCC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H28O2/c1-16(2)18-8-12-20(13-9-18)22(24)6-5-7-23(25)21-14-10-19(11-15-21)17(3)4/h8-17H,5-7H2,1-4H3
InChIKeyVBSDYNJIKFFSDN-UHFFFAOYSA-N
XLogP6.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
5-oxo-5-(4-propan-2-ylphenyl)pentanoate
CID 7022366
6-oxo-6-(4-propan-2-ylphenyl)hexanamide
CID 174637388
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084
1-[4-(N-(4-pentanoylphenyl)-4-propan-2-ylanilino)phenyl]pentan-1-one
CID 118530705
4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one
CID 64565089
4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one
CID 70436740
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
1-(4-propan-2-ylphenyl)hexane-1,3-dione
CID 61393311
3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 43625070
6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one
CID 116578308
1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one
CID 4249451

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione?
The IUPAC name of 1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione (CID 23512927) is 1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione.
What is the SMILES notation for 1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione?
The canonical SMILES for 1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione is CC(C)c1ccc(C(=O)CCCC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione?
The InChIKey is VBSDYNJIKFFSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-16(2)18-8-12-20(13-9-18)22(24)6-5-7-23(25)21-14-10-19(11-15-21)17(3)4/h8-17H,5-7H2,1-4H3.
What are the key properties of 1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione?
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione has a molecular weight of 336.48 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione is sourced from PubChem (CID 23512927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).