4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one

C25H34O — CID 142130444

IUPAC4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one
SMILESCCCc1ccc(CC(C)c2ccc(CCC(C)=O)cc2CCC)cc1
InChIInChI=1S/C25H34O/c1-5-7-21-11-13-22(14-12-21)17-19(3)25-16-15-23(10-9-20(4)26)18-24(25)8-6-2/h11-16,18-19H,5-10,17H2,1-4H3
InChIKeyQFNJMIJEBBUHAZ-UHFFFAOYSA-N
MW350.55 g/mol
LogP6.46
Rot. Bonds10

About 4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one

4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one (PubChem CID 142130444) has the molecular formula C25H34O and a molecular weight of 350.55 g/mol. Its IUPAC name is 4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one.

Molecular Properties

Compound Name4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one
PubChem CID142130444
Molecular FormulaC25H34O
Molecular Weight350.55 g/mol
Exact Mass350.26
IUPAC Name4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one
SMILESCCCc1ccc(CC(C)c2ccc(CCC(C)=O)cc2CCC)cc1
InChIInChI=1S/C25H34O/c1-5-7-21-11-13-22(14-12-21)17-19(3)25-16-15-23(10-9-20(4)26)18-24(25)8-6-2/h11-16,18-19H,5-10,17H2,1-4H3
InChIKeyQFNJMIJEBBUHAZ-UHFFFAOYSA-N
XLogP6.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one?
The IUPAC name of 4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one (CID 142130444) is 4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one.
What is the SMILES notation for 4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one?
The canonical SMILES for 4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one is CCCc1ccc(CC(C)c2ccc(CCC(C)=O)cc2CCC)cc1.
What is the InChIKey of 4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one?
The InChIKey is QFNJMIJEBBUHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O/c1-5-7-21-11-13-22(14-12-21)17-19(3)25-16-15-23(10-9-20(4)26)18-24(25)8-6-2/h11-16,18-19H,5-10,17H2,1-4H3.
What are the key properties of 4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one?
4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one has a molecular weight of 350.55 g/mol, XLogP of 6.46, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one is sourced from PubChem (CID 142130444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).