1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone

C33H33FO — CID 118283753

IUPAC1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone
SMILESCCCc1ccc(-c2ccc(CC(=O)c3ccc(-c4ccc(CCC)cc4)c(F)c3C)cc2)cc1
InChIInChI=1S/C33H33FO/c1-4-6-24-8-14-27(15-9-24)28-16-12-26(13-17-28)22-32(35)30-20-21-31(33(34)23(30)3)29-18-10-25(7-5-2)11-19-29/h8-21H,4-7,22H2,1-3H3
InChIKeyCUAYWBKSXBWIDJ-UHFFFAOYSA-N
MW464.62 g/mol
LogP8.80
Rot. Bonds9

About 1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone

1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone (PubChem CID 118283753) has the molecular formula C33H33FO and a molecular weight of 464.62 g/mol. Its IUPAC name is 1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone
PubChem CID118283753
Molecular FormulaC33H33FO
Molecular Weight464.62 g/mol
Exact Mass464.25
IUPAC Name1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone
SMILESCCCc1ccc(-c2ccc(CC(=O)c3ccc(-c4ccc(CCC)cc4)c(F)c3C)cc2)cc1
InChIInChI=1S/C33H33FO/c1-4-6-24-8-14-27(15-9-24)28-16-12-26(13-17-28)22-32(35)30-20-21-31(33(34)23(30)3)29-18-10-25(7-5-2)11-19-29/h8-21H,4-7,22H2,1-3H3
InChIKeyCUAYWBKSXBWIDJ-UHFFFAOYSA-N
XLogP8.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.62
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2,3-difluoro-4-(4-propylphenyl)benzoate
CID 142331616
1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone
CID 58953388
1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene
CID 54541075
1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331585
methyl 4-[2,3-difluoro-4-(4-propylphenyl)phenyl]benzoate
CID 142331543
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
CID 20679712
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
[3-ethyl-4-(4-propylphenyl)phenyl]methanol
CID 90163510
1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene
CID 143260820

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone (CID 118283753) is 1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone is CCCc1ccc(-c2ccc(CC(=O)c3ccc(-c4ccc(CCC)cc4)c(F)c3C)cc2)cc1.
What is the InChIKey of 1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone?
The InChIKey is CUAYWBKSXBWIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FO/c1-4-6-24-8-14-27(15-9-24)28-16-12-26(13-17-28)22-32(35)30-20-21-31(33(34)23(30)3)29-18-10-25(7-5-2)11-19-29/h8-21H,4-7,22H2,1-3H3.
What are the key properties of 1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone?
1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone has a molecular weight of 464.62 g/mol, XLogP of 8.80, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone is sourced from PubChem (CID 118283753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).