1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one

C26H26F2O — CID 142331585

IUPAC1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
SMILESCCCc1ccc(-c2ccc(-c3ccc(C(=O)C(C)(C)C)cc3)c(F)c2F)cc1
InChIInChI=1S/C26H26F2O/c1-5-6-17-7-9-18(10-8-17)21-15-16-22(24(28)23(21)27)19-11-13-20(14-12-19)25(29)26(2,3)4/h7-16H,5-6H2,1-4H3
InChIKeyLNKLDMVOCIQOPA-UHFFFAOYSA-N
MW392.49 g/mol
LogP7.48
Rot. Bonds5

About 1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one

1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one (PubChem CID 142331585) has the molecular formula C26H26F2O and a molecular weight of 392.49 g/mol. Its IUPAC name is 1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
PubChem CID142331585
Molecular FormulaC26H26F2O
Molecular Weight392.49 g/mol
Exact Mass392.20
IUPAC Name1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
SMILESCCCc1ccc(-c2ccc(-c3ccc(C(=O)C(C)(C)C)cc3)c(F)c2F)cc1
InChIInChI=1S/C26H26F2O/c1-5-6-17-7-9-18(10-8-17)21-15-16-22(24(28)23(21)27)19-11-13-20(14-12-19)25(29)26(2,3)4/h7-16H,5-6H2,1-4H3
InChIKeyLNKLDMVOCIQOPA-UHFFFAOYSA-N
XLogP7.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331692
methyl 4-[2,3-difluoro-4-(4-propylphenyl)phenyl]benzoate
CID 142331543
1-[3-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331671
[4-(2,2-dimethylpropanoyl)phenyl] 4-(4-propylphenyl)benzoate
CID 142331748
1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331621
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
methyl 2,3-difluoro-4-(4-propylphenyl)benzoate
CID 142331616
1-(4-hexylphenyl)-2,2-dimethylpropan-1-one
CID 59409785
1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone
CID 142331657
2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one
CID 155310115
1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone
CID 118283753
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one (CID 142331585) is 1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one is CCCc1ccc(-c2ccc(-c3ccc(C(=O)C(C)(C)C)cc3)c(F)c2F)cc1.
What is the InChIKey of 1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is LNKLDMVOCIQOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2O/c1-5-6-17-7-9-18(10-8-17)21-15-16-22(24(28)23(21)27)19-11-13-20(14-12-19)25(29)26(2,3)4/h7-16H,5-6H2,1-4H3.
What are the key properties of 1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one?
1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 392.49 g/mol, XLogP of 7.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 142331585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).